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N-[(1S)-3-氯-2-氧代-1-(苯基甲基)丙基]-4-甲基-苯磺酰胺 | 402-71-1

N-[(1S)-3-氯-2-氧代-1-(苯基甲基)丙基]-4-甲基-苯磺酰胺
N-α-Tosyl-L-phenylalanylchloromethane
402-71-1
C17H18NO3SCl
351.84772
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:N-[(1S)-3-氯-2-氧代-1-(苯基甲基)丙基]-4-甲基-苯磺酰胺结构式
24278737
简介
TPCK (L-1-Tosylamido-2-phenylethyl chloromethyl ketone; L-TPCK) 是一种有效的丝氨酸蛋白酶抑制剂,可与 HPV-18 E7 蛋白的视网膜母细胞瘤蛋白 (RB) 结合核心发生反应并消除其 RB 结合能力。TPCK 在添加到培养基后能够修饰活角质形成细胞中的 E7 蛋白。
名称和标识符
MDL MFCD00000935
InChIKey MQUQNUAYKLCRME-INIZCTEOSA-N
Inchi InChI=1S/C17H18ClNO3S/c1-13-7-9-15(10-8-13)23(21,22)19-16(17(20)12-18)11-14-5-3-2-4-6-14/h2-10,16,19H,11-12H2,1H3/t16-/m0/s1
SMILES CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC2=CC=CC=C2)C(=O)CCl
别名信息
- 中文别名 -
  • N-[(1S)-3-氯-2-氧代-1-(苯基甲基)丙基]-4-甲基-苯磺酰胺
  • (S)-1-氯-4-苯基-3-磺酰氨基-2-丁酮
  • 甲苯磺酰基-L-氨基联苯氯甲基酮(TPCK)
  • 甲苯磺酰基-L-氨基联苯氯甲基酮
  • NA-对甲苯磺酰-L-苯丙氨酸氯甲基酮
  • L-1,4'-甲基磺酰基-2-苯基乙基氯甲基酮
  • (S)-1-氯-3-磺酰胺基-4-苯基-2-丁酮
  • N-(对甲苯磺酰基)-L-苯丙氨酰甲基氯酮(TPCK)
  • N-(对甲苯磺酰基)-L-苯丙氨酰甲基氯酮
  • (R)-(-)-N-(3,5-二硝基苯甲酰基)-α-苯甘氨酸
  • L-1,4 -甲基磺酰基-2-苯基乙基氯甲基酮
  • N-(p-Toluenesulfonyl)-L-phenylalanyl Chloromethyl Ketone N-(对甲苯磺酰基)-L-苯丙氨酰甲基氯酮
  • TPCK 甲苯磺酰基-L-氨基联苯氯甲基酮
  • TPCK(进分)
  • 甲苯磺酰基-L-氨基联苯氯甲基酮,TPCK
  • (S)-N-(4-氯-3-氧代-1-苯基-2-丁基)对甲苯磺酰胺
  • N-alpha-对甲苯磺酰基-L-苯丙氨酰氯甲烷
- 英文别名 -
  • N-[(1S)-3-Chloro-2-Oxo-1-(Phenylmethyl)Propyl]-4-Methyl-Benzenesulfonamide
  • N-[(1S)-1-(Benzyl)-3-Chloro-2-Keto-Propyl]-4-Methyl-Benzenesulfonamide
  • L-1-TOSYLAMIDE-2-PHENYLETHYL-CHLOROMETHYL KETONE
  • L-1-P-TOSYLAMINO-2-PHENYLETHYL CHLOROMETHYL KETONE
  • L-1-CHLORO-3-(4-TOSYLAMIDO)-4-PHENYL-2-BUTANONE
  • L-1-CHLORO-3-TOSYLAMIDO-4-PHENYL-2-BUTANONE
  • L-1-4'-TOSYLAMINO-2-PHENYLETHYL CHLOROMETHYL KETONE
  • N-TOSYL-L-PHENYLALANINE CHLOROMETHYL KETONE
  • N-TOSYL-PHE-CHLOROMETHYLKETONE
  • N-TOSYLAMIDE PHENETHYL CHLOROMETHYLKETONE
  • TPCK
  • N-(p-Toluenesulfonyl)-L-phenylalanyl Chloromethyl Ketone
  • N-p-Tosyl-L-phenylalanine chloromethyl ketone (TPCK)
  • Benzenesulfonamide,N-[(1S)-3-chloro-2-oxo-1-(phenylmethyl)propyl]-4-methyl-
  • N-p-Tosyl-L-phenylalanine chloromethyl ketone
  • N-Tosyl-L-phenylalanine Chloromethyl Ketone(TPCK)
  • N-α-Tosyl-L-phenylal
  • N-α-Tosyl-L-phenylalanylchloromethane
  • Tos-Phe-chloromethylketone
  • (-)-p-toluenesulfonamid
  • L-(1-tosylamino-2-phenyl)-ethyl chloromethyl cetone
  • N-p-Tosyl-L-phenylalanyl chloromethane
  • Tos-L-Phe-Chloromethane
  • TOS-PHE-CMK
  • TOSYL-L-PHENYLALANYL-CHLOROMETHANE
  • tosylphenylalanylchloromethylketone
  • (S)-1-Chloro-3-tosylamido-4-phenyl-2-butanone
  • (S)-1-Chloro-4-phenyl-3-tosylamido-2-butanone
  • (S)-N-(4-Chloro-3-oxo-1-phenyl-2-butyl)-p-toluenesulfonamide
  • N-Tosyl-L-phenylalanyl Chloromethyl Ketone
  • Tosylphenylalanylchloromethane
  • alpha-N-Tosyl-L-phenylalanine chloromethyl ketone
  • Tosyl-L-phenylalanyl-chloromethane
  • CHEMBL60718
  • L-1-Tosylamido-2-phenylethyl chloromethyl ketone
  • KBio3_000521
  • BRD-K07055988-001-02-4
  • SR-01000076157-1
  • Q7827912
  • l-N-(alpha-(Chloroacetyl)phenethyl)-p-toluenesulfonamide
  • NCGC00094419-06
  • BSPBio_001541
  • L-([Toluene-4-sulfonamido]-2-phenyl)ethyl chloromethyl ketone
  • SMR000058518
  • N-(P-TOLUENESULFONYL)-L-PHENYLALANYLCHLOROMETHANE
  • T2810
  • MFCD00000935
  • Lopac-T-4376
  • l-N-(.alpha.-(Chloroacetyl)phenethyl)-p-toluenesulfonamide
  • SR-01000076157
  • N-Tosyl-L-phenylalanyl chloromethyl ketone
  • Bio2_000741
  • L-Chloromethyl (2-phenyl-1-(p-toluenesulphonylamino)ethyl) ketone
  • tosylphenylalanylchloromethane
  • DTXSID60883376
  • NCGC00094419-02
  • L-1-p-Tosylamino-2-phenylethyl chloromethyl ketone
  • MLS000028752
  • MLS006010721
  • BRD5988
  • P-TOLUENESULFONAMIDE, N-(.ALPHA.-(CHLOROACETYL)PHENETHYL)-, L-
  • Tosyl-Phe-CMK (TPCK)
  • L-1-CHLORO-4-PHENYL-3-P-TOLYLSULFONAMIDOBUTAN-2-ONE
  • PI-122
  • N-[(2S)-4-chloro-3-oxo-1-phenylbutan-2-yl]-4-methylbenzenesulfonamide
  • IDI1_034011
  • Opera_ID_1094
  • LP01157
  • N-P-tosyl-L-phenylalanyl chloromethyl ketone
  • .ALPHA.-N-TOSYL-L-PHENYLALANINE CHLOROMETHYL KETONE
  • p-Toluenesulfonamide, N-(.alpha.-(chloroacetyl)phenethyl)-, (-)-
  • EU-0101157
  • NSC 727365
  • BRN 2895215
  • Benzenesulfonamide, N-[3-chloro-2-oxo-1-(phenylmethyl)propyl]-4-methyl-, (S)-
  • Tosylphenylalanyl chloromethyl ketone, (L)-
  • cid_439647
  • NCGC00094419-04
  • NSC727365
  • N-TOSYL-L-PHENYLALANINECHLOROMETHANE
  • KBio2_005397
  • KBio3_000522
  • L-1-CHLORO-3-TOSYLAMIDYL-4-PHENYL-2-BUTANONE
  • N.ALPHA.-TOSYL-L-PHENYLALANINE CHLOROMETHYL KETONE
  • N-TOSYLPHENYLALANINE CHLOROMETHYL KETONE
  • T 4376
  • Lopac0_001157
  • NCGC00094419-03
  • Benzenesulfonamide, N-(3-chloro-2-oxo-1-(phenylmethyl)propyl)-4-methyl-, (S)-
  • N-(p-Toluenesulfonyl)-L-phenylalanine chloromethyl ketone
  • CHEBI:9642
  • HY-124379
  • L-1-CHLORO-4-PHENYL-3-TOLUENE-P-SULFONAMIDO-2-BUTANONE
  • Tos-Phe-CH2Cl
  • NCGC00016020-01
  • N-[(1S)-1-benzyl-3-chloro-2-oxo-propyl]-4-methyl-benzenesulfonamide
  • EINECS 206-954-6
  • AKOS027327594
  • L-1-Tosylamido-2-phenylethylchloromethyl ketone
  • NCGC00094419-07
  • UNII-P598716LJT
  • NCGC00261842-01
  • KBio2_000261
  • KBioGR_000261
  • CS-0086323
  • AS-35326
  • Tosyl-L-phenylalanylchloromethane
  • BDBM50085363
  • HMS3402N03
  • Tox21_501157
  • CAS329306
  • SDCCGSBI-0051124.P003
  • NSC-727365
  • p-Tosyl-L-phenylalanine chloromethylketone
  • CCG-205231
  • L-TOLYLSULFONYLPHENYLALANYL CHLOROMETHYL KETONE
  • C02088
  • 402-71-1
  • N-p-Tosyl-L-phenylalanine chloromethyl ketone, >=97% (TLC), powder
  • (S)-N-(4-Chloro-3-oxo-1-phenylbutan-2-yl)-4-methylbenzenesulfonamide
  • TOSYLPHENYLALANYL CHLOROMETHYL KETONE
  • Benzenesulfonamide, N-((1S)-3-chloro-2-oxo-1-(phenylmethyl)propyl)-4-methyl-
  • N-Tosyl-L-phenylalanine chloromethyl ketone
  • N-.ALPHA.-TOSYL-L-PHENYLALANYLCHLOROMETHANE
  • BRD-5988
  • HMS1989N03
  • TOSYLPHENYLALANINE CHLOROMETHYL KETONE
  • HMS1361N03
  • SCHEMBL927265
  • KBio2_002829
  • HMS3263H15
  • (3S)-3-(p-Toluenesulfonyl)amino-1-chloro-4-phenyl-2-butanone
  • KBioSS_000261
  • Bio2_000261
  • P598716LJT
  • n-alpha-tosyl-l-phenylalanylchloromethane
  • Benzenesulfonamide, N-[(1S)-3-chloro-2-oxo-1-(phenylmethyl)propyl]-4-methyl-
  • NCGC00094419-05
  • p-Toluenesulfonamide, N-(alpha-(chloroacetyl)phenethyl)-, (-)-
  • NCGC00094419-01
  • HMS1791N03
  • N-Tosyl-L-phenylalanylchloromethane
  • MLS001076075
  • A873400
物化性质
实验特性
LogP 4.16420
PSA 63.24
折射率 1.6100 (estimate)
沸点 509.9 °C at 760 mmHg
熔点 106.0 to 110.0 deg-C
闪点 262.2 °C
溶解度 几乎不溶 (0.046 g/L) (25 ºC),
颜色与性状 不可用
溶解性 不可用
密度 1.277±0.06 g/cm3 (20 ºC 760 Torr),
计算特性
精确分子量 351.06974
氢键供体数量 1
氢键受体数量 4
可旋转化学键数量 7
同位素质量 351.07
重原子数量 23
复杂度 475
同位素原子数量 0
确定原子立构中心数量 1
不确定原子立构中心数量 0
确定化学键立构中心数量 0
不确定化学键立构中心数量 0
共价键单元数量 1
疏水参数计算参考值(XlogP) 3.6
拓扑分子极性表面积 71.6A^2
国际标准相关数据
EINECS 206-954-6
海关数据
海关编码 29350090
生产方法和用途
用途 蛋白酶抑制剂。
专业数据库参考
PubChemId 24278737
参考资料
Reaxys RN 2895215
Beilstein 2895215
化合物详情(旧版)

物理化学性质

【性状】白色粉末
熔点】 106-108ºC(lit.)
沸点】 509.9ºC at 760 mmHg
密度】 1.277 g/cm3
闪点】 262.2ºC
折射率】 1.582
储存条件】 −20°C
溶解度】 DMSO: >10 mg/mL stable for several months at 4°C.

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