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  2. 1257044-40-8

1257044-40-8

(name: Venetoclax)
1257044-40-8
Product name:Venetoclax
CAS No:1257044-40-8
MF:C45H50N7O7SCl
MW:868.4392
MDL:MFCD23160052
CID:2083391
PubChem ID:49846579

Introduction

Venetoclax (abt-199; gdc-0199) is a highly potent, selective and orally effective Bcl-2 inhibitor with a ki less than 0.01 nm Venetoclax can induce autophagy

Names and Identifiers

  • ABT-199
  • ABT-199 (GDC-0199)
  • 2-(1H-Pyrrolo[2,3-b]pyridin-5-yloxy)-4-(4-((2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-enyl)methyl)piperazin-1-yl)-N-(3-nitro-4-((tetrahydro-2H-pyran-4-yl)methy
  • 4-[4-[[2-(4-chlorophenyl)-4,4-dimethyl-1-cyclohexen-1-yl]methyl]-1-piperazinyl]-N-[[3-nitro-4-[[(tetrahydro-2H-pyran-4-yl)methyl]amino]phenyl]sulfonyl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)benzamide (
  • 4-[4-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]-N-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide
  • ABT 199
  • ABT-199 API
  • Sulfuric acid mono[(1R,2S,5R)-2-(aminocarbonyl)-7-oxo-1,6-diazabicyclo[3.2.1]oct-6-yl] ester
  • Venetoclax(ABT-199)
  • CS-1155
  • GDC0199
  • GDC-0199
  • UNII-N54AIC43PW
  • Venetoclax
  • 4-[4-[[2-(4-Chlorophenyl)-4,4-dimethyl-1-cyclohexen-1-yl]methyl]-1-piperazinyl]-N-[[3-nitro-4-[[(tetrahydro-2H-pyran-4-yl)methyl]amino]phenyl]sulfonyl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)-benzamide
  • ABT-199 Venetoclax
  • 4-(4-{[2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl]methyl}piperazin-1-yl)-n-({3-nitro-4-[(tetrahydro-2h-pyran-4-ylmethyl)amino]phenyl}sulfonyl)-2-(1h-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide
  • NCGC00345789-11
  • NCGC00345789-05
  • VENETOCLAX [INN]
  • AKOS025289539
  • Venetoclax (JAN/USAN/INN)
  • DB11581
  • RG-7601
  • NCGC00345789-12
  • NS00073446
  • ABT199
  • 1257044-40-8
  • HY-15531
  • )methyl]amino}phenyl)sulfonyl]-2-[(1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]benzamide
  • 4-{4-[(4'-chloro-5,5-dimethyl[3,4,5,6-tetrahydro[1,1'-biphenyl]]-2-yl)methyl]piperazin-1-yl}-N-(3-nitro-4-{[(oxan-4-yl)methyl]amino}benzene-1-sulfonyl)-2-[(1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]benzamide
  • BRD-K62391742-001-03-0
  • SCHEMBL523816
  • BRD-K62391742-001-08-9
  • BDBM189459
  • Venetoclax(ABT-199)
  • Q23671272
  • SMR004701366
  • ABT-199
  • 2-(1H-Pyrrolo[2,3-b]pyridin-5-yloxy)-4-(4-((2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-enyl)methyl)piperazin-1-yl)-N-(3-nitro-4-((tetrahydro-2H-pyran-4-yl)methy
  • Venetoclax
  • Abt-199
  • CHEMBL3137309
  • AC-28754
  • Venclexta
  • Venetoclax (ABT-199)
  • 4-(4-{[2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl]methyl}piperazin-1-yl)-N-({3-nitro-4-[(oxan-4-ylmethyl)amino]benzene}sulfonyl)-2-{1H-pyrrolo[2,3-b]pyridin-5-yloxy}benzamide
  • SW219672-1
  • HMS3653J06
  • KS-1470
  • venetoclaxum
  • 4-[4-[[2-(4-chlorophenyl)-4,4-dimethyl-cyclohexen-1-yl]methyl]piperazin-1-yl]-N-[3-nitro-4-(tetrahydropyran-4-ylmethylamino)phenyl]sulfonyl-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide
  • SCHEMBL19236295
  • 4-(4-{[2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl]methyl}piperazin-1-yl)-N-(3-nitro-4-{[(oxan-4-yl)methyl]amino}benzenesulfonyl)-2-{1H-pyrrolo[2,3-b]pyridin-5-yloxy}benzamide
  • CCG-270543
  • DTXCID0077354
  • 4-{4-[(4'-chloro-5,5-dimethyl[3,4,5,6-tetrahydro[1,1'-biphenyl]]-2-yl)methyl]piperazin-1-yl}-N-[(3-nitro-4-{[(oxan-4-yl)methyl]amino}phenyl)sulfonyl]-2-[(1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]benzamide
  • EX-A168
  • D10679
  • VENETOCLAX [MI]
  • GDC-0199 , ABT 199 , ABT-199 , ABT199
  • ABT 199 (>99%)(Venetoclax)
  • ABT 199 (Venetoclax)
  • MFCD23160052
  • venclyxto
  • RG7601
  • Venetoclax(ABT-199)?
  • Venclexta (TN)
  • EN300-7399830
  • US9174982, 369
  • BCP06811
  • 4-(4-((2-(4-CHLOROPHENYL)-4,4-DIMETHYLCYCLOHEX-1-EN-1-YL)METHYL)PIPERAZIN-1-YL)-N-((3-NITRO-4-((TETRAHYDRO-2HPYRAN-4-YLMETHYL) AMINO)PHENYL)SULFONYL)-2-(1H-PYRROLO(2,3-B)PYRIDIN-5-YLOXY)BENZAMIDE
  • J-005269
  • MLS006010298
  • VENETOCLAX [WHO-DD]
  • HMS3745E07
  • 4-{4-[(4'-chloro-5,5-dimethyl[3,4,5,6-tetrahydro[1,1'-biphenyl]]-2-yl)methyl]piperazin-1-yl}-N-[(3-nitro-4-{[(oxan-4-yl
  • GTPL8318
  • VENETOCLAX [JAN]
  • ABT-0199
  • 2-((1H-Pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4-((4'-chloro-5,5-dimethyl-3,4,5,6-tetrahydro-[1,1'-biphenyl]-2-yl)methyl)piperazin-1-yl)-N-((3-nitro-4-(((tetrahydro-2H-pyran-4-yl)methyl)amino)phenyl)sulfonyl)benzamide
  • 4-(4-((2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl)methyl)piperazin-1-yl)-N-((3-nitro-4-((tetrahydro-2H-pyran-4-ylmethyl)amino)phenyl)sulfonyl)-2-(1H-pyrrolo(2,3-b)pyridin-5-yloxy)benzamide
  • Venetoclax [USAN:INN]
  • BRD-K62391742-001-09-7
  • 4-(4-((4'-chloro-5,5-dimethyl(3,4,5,6-tetrahydro(1,1'-biphenyl))-2-yl)methyl)piperazin-1-yl)-N-(3-nitro-4-(((oxan-4-yl)methyl)amino)benzene-1-sulfonyl)-2-((1H-pyrrolo(2,3-b)pyridin-5-yl)oxy)benzamide
  • GDC 0199
  • DTXSID30154863
  • S8048
  • VENETOCLAX [USAN]
  • US9174982, 5
  • BDBM60828
  • Z2037279542
  • SB16499
  • benzamide, 4-(4-((2-(4-chlorophenyl)-4,4-dimethyl-1-cyclohexen-1-yl)methyl)-1-piperazinyl)-n-((3-nitro-4-(((tetrahydro-2h-pyran-4-yl)methyl)amino)phenyl)sulfonyl)-2-(1h-pyrrolo(2,3-b)pyridin-5-yloxy)-
  • NSC766270
  • Venetoclax (ABT199)
  • CHEBI:133021
  • DA-35360
  • N54AIC43PW
  • BDBM50162774
  • NSC-766270
  • Benzamide, 4-[4-[[2-(4-chlorophenyl)-4,4-dimethyl-1-cyclohexen-1-yl]methyl]-1-piperazinyl]-N-[[3-nitro-4-[[(tetrahydro-2H-pyran-4-yl)methyl]amino]phenyl]sulfonyl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)-
  • VENETOCLAX [ORANGE BOOK]
  • 4-(4-((2-(4-Chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl)methyl)piperazin-1-yl)-N-((3-nitro-4-(((oxan-4-yl)methyl)amino)phenyl)sulfonyl)-2-((1H-pyrrolo(2,3-b)pyridin-5-yl)oxy)benzamide
  • L01XX52
  • NCGC00345789-10
  • NCGC00345789-01
  • MDL:MFCD23160052
  • InChIKey:LQBVNQSMGBZMKD-UHFFFAOYSA-N
  • Inchi:InChI=1S/C45H50ClN7O7S/c1-45(2)15-11-33(39(26-45)31-3-5-34(46)6-4-31)29-51-17-19-52(20-18-51)35-7-9-38(42(24-35)60-36-23-32-12-16-47-43(32)49-28-36)44(54)50-61(57,58)37-8-10-40(41(25-37)53(55)56)48-27-30-13-21-59-22-14-30/h3-10,12,16,23-25,28,30,48H,11,13-15,17-22,26-27,29H2,1-2H3,(H,47,49)(H,50,54)
  • SMILES:O=C(NS(=O)(C1=CC=C(NCC2CCOCC2)C([N+]([O-])=O)=C1)=O)C3=CC=C(N4CCN(CC5=C(C6=CC=C(Cl)C=C6)CC(C)(C)CC5)CC4)C=C3OC7=CN=C(NC=C8)C8=C7

Chemical and Physical Properties

Computed Properties

  • Exact Mass: 867.31800
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 11
  • Rotatable Bond Count: 14
  • Monoisotopic Mass: 867.3180958g/mol
  • Heavy Atom Count: 61
  • Complexity: 1640
  • Isotope Atom Count: 0
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Covalently-Bonded Unit Count: 1
  • XLogP3: 8.2
  • Topological Polar Surface Area: 183Ų

Experimental Properties

  • LogP: 10.91460
  • PSA: 186.58000
  • Refractive Index: 1.64
  • Solubility: Insuluble (6.3E-6 g/L) (25 ºC),
  • Density: 1.340±0.06 g/cm3 (20 ºC 760 Torr),
Security Information
  • Hazard Statement:H302-H315-H319-H335
  • Warning Statement:P261-P305+P351+P338
  • Storage Condition:Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month
  • Signal Word:Warning

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No.PurityStockSpecificationPriceupdate timeoperate
KS-1470-10MG>97%Same Day Despatch10mg£63.0007 Sep. 2023
KS-1470-1MG>97%Same Day Despatch1mg£37.0007 Sep. 2023
KS-1470-5MG>97%Same Day Despatch5mg£51.0007 Sep. 2023
Brand:aladdinSupplier:上海阿拉丁生化科技股份有限公司
No.PurityStockSpecificationPriceupdate timeoperate
A124869-100mg≥99%现货100mg¥745.9004 Sep. 2023
A124869-25mg≥99%现货25mg¥273.9004 Sep. 2023
A124869-50mg≥99%现货50mg¥494.9004 Sep. 2023
A124869-10mg≥99%现货10mg¥164.9004 Sep. 2023
A124869-5mg≥99%现货5mg¥102.9004 Sep. 2023
A124869-500mg≥99%现货500mg¥1853.9004 Sep. 2023
Brand:scbtSupplier:圣克鲁斯生物技术
No.PurityStockSpecificationPriceupdate timeoperate
sc-472284D-3 g≥98%3g¥12,034.0011 Jul. 2023
sc-472284C-100 mg≥98%100MG¥6,017.0011 Jul. 2023
sc-472284B-10 mg≥98%10mg¥3,761.0011 Jul. 2023
sc-472284A-5 mg≥98%5mg¥2,369.0011 Jul. 2023
sc-472284-1 mg≥98%1mg¥827.0011 Jul. 2023
sc-472284-1mg≥98%1mg¥827.0005 Sep. 2023
sc-472284A-5mg≥98%5mg¥2369.0005 Sep. 2023
sc-472284B-10mg≥98%10mg¥3761.0005 Sep. 2023
sc-472284C-100mg≥98%100mg¥6017.0005 Sep. 2023
sc-472284D-3g≥98%3g¥12034.0005 Sep. 2023
Brand:麦克林Supplier:上海麦克林生化科技有限公司
No.PurityStockSpecificationPriceupdate timeoperate
A864240-25mg≥99%上海仓库:现货/北方仓库:-/南方仓库:-25mg¥279.0029 Sep. 2022
A864240-100mg≥99%上海仓库:现货/北方仓库:-/南方仓库:-100mg¥769.0029 Sep. 2022
Brand:topscienceSupplier:上海陶术生物科技有限公司
No.PurityStockSpecificationPriceupdate timeoperate
T2119-1 mL * 10 mM (in DMSO)99.14%上海现货1 mL * 10 mM (in DMSO)¥1487.0001 Mar. 2022
T2119-100 mg99.14%上海现货100MG¥6617.0001 Mar. 2022
T2119-50 mg99.14%上海现货50mg¥4527.0001 Mar. 2022
T2119-10 mg99.14%上海现货10mg¥1487.0001 Mar. 2022
T2119-5 mg99.14%上海现货5mg¥1107.0001 Mar. 2022
T2119-2 mg99.14%上海现货2mg¥537.0001 Mar. 2022
Brand:dcchemicalSupplier:DC Chemicals
No.PurityStockSpecificationPriceupdate timeoperate
DC2002-10 g>99%In stock10g$3200.028 Feb. 2022
DC2002-5 g>99%In stock5g$2000.028 Feb. 2022
DC2002-1 g>99%In stock1g$800.028 Feb. 2022
DC2002-10 mM * 1 mL in DMSOIn stock10mM*1mLinDMSO$150.015 Sep. 2023
DC2002-10gIn stock10g$3200.015 Sep. 2023
DC2002-5gIn stock5g$2000.015 Sep. 2023
DC2002-1gIn stock1g$800.015 Sep. 2023
Brand:matrixscientificSupplier:Matrix Scientific
No.PurityStockSpecificationPriceupdate timeoperate
131682-250mg97%Inquire250mg$2,160.0027 Jun. 2021
131682-100mg97%Inquire100mg$1,198.0027 Jun. 2021
Brand:九鼎Supplier:上海贤鼎生物科技有限公司
No.PurityStockSpecificationPriceupdate timeoperate
B-GI469-10mg99+%现货10mg928CNY08 May. 2021
B-GI469-5mg99+%现货5mg696CNY08 May. 2021
B-GI469-50mg99+%现货50mg2784CNY08 May. 2021
B-GI469-2mg99+%现货2mg347CNY08 May. 2021
B-GI469-100mg99+%现货100mg4278CNY08 May. 2021
Brand:chemenuSupplier:Chemenu
No.PurityStockSpecificationPriceupdate timeoperate
CM149788-100mg95+%3-4 Weeks100mg$20402 Mar. 2022
Brand:1pchemSupplier:1PlusChem
No.PurityStockSpecificationPriceupdate timeoperate
1P000OZI-5g99%In Stock USA5g$259.0025 Dec. 2023
1P000OZI-1g99%In Stock USA1g$70.0025 Dec. 2023
1P000OZI-250mg99%In Stock USA250mg$36.0025 Dec. 2023
1P000OZI-2mg99%In Stock USA2mg$12.0025 Dec. 2023
1P000OZI-1mg99%In Stock USA1mg$10.0025 Dec. 2023
Brand:enaminestoreSupplier:Enamine
No.PurityStockSpecificationPriceupdate timeoperate
EN300-7399830-10.0g95%In Stock10g$586.024 May. 2023
EN300-7399830-5.0g95%In Stock5g$316.024 May. 2023
EN300-7399830-2.5g95%In Stock2.5g$182.024 May. 2023
EN300-7399830-1.0g95%In Stock1g$100.024 May. 2023
EN300-7399830-0.5g95%In Stock0.5g$78.024 May. 2023
EN300-7399830-0.25g95%In Stock0.25g$49.024 May. 2023
EN300-7399830-0.1g95%In Stock0.1g$35.024 May. 2023
EN300-7399830-0.05g95%In Stock0.05g$23.024 May. 2023
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