找化学品上960化工网!
960化工网

[(3R,4S,5S,6R)-5-甲氧基-4-[(2R,3R)-2-甲基-3-(3-甲基丁-2-烯基)环氧乙烷-2-基]-1-氧杂螺[2.5]辛烷-6-醇] N-(2-氯乙酰基)氨基甲酸酯 | 129298-91-5

[(3R,4S,5S,6R)-5-甲氧基-4-[(2R,3R)-2-甲基-3-(3-甲基丁-2-烯基)环氧乙烷-2-基]-1-氧杂螺[2.5]辛烷-6-醇] N-(2-氯乙酰基)氨基甲酸酯
TNP-470
129298-91-5
C19H28ClNO6
401.8817
369976
简介
TNP-470 是甲硫氨酸氨肽酶-2 抑制剂,也是一种血管生成抑制剂。
名称和标识符
MDL MFCD00870281
InChIKey MSHZHSPISPJWHW-DWYAXKQASA-N
Inchi 1S/C19H28ClNO6/c1-11(2)5-6-13-18(3,27-13)16-15(24-4)12(7-8-19(16)10-25-19)26-17(23)21-14(22)9-20/h5,12-13,15-16H,6-10H2,1-4H3,(H,21,22,23)/t12-,13-,15-,16-,18?,19+/m1/s1
SMILES ClC([H])([H])C(N([H])C(=O)O[C@]1([H])C([H])([H])C([H])([H])[C@]2(C([H])([H])O2)[C@]([H])([C@]1([H])OC([H])([H])[H])C1(C([H])([H])[H])[C@@]([H])(C([H])([H])/C(/[H])=C(\C([H])([H])[H])/C([H])([H])[H])O1)=O
别名信息
- 中文别名 -
  • O-(氯乙酰氨甲酰基)烟曲霉素醇
  • [(3R,4S,5S,6R)-5-甲氧基-4-[(2R,3R)-2-甲基-3-(3-甲基丁-2-烯基)环氧乙烷-2-基]-1-氧杂螺[2.5]辛烷-6-醇] N-(2-氯乙酰基)氨基甲酸酯
  • TNP 470/O-(氯乙酰氨甲酰基)烟曲霉素醇
  • 夫马吉欣
  • 夫马菌素醇
- 英文别名 -
  • AGM-1470
  • O-(Chloroacetylcarbamoyl)fumagillol
  • [(3R,4S,5S,6R)-5-Methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] N-(2-chloroacetyl)carbamate
  • TNP 470,N-(2-Chloroacetyl)carbamicacid(3R,4S,5S,6R)-5-Methoxy-4-[(2R,3R)-2-methyl-3-(3-methyl-2-buten-1-yl)-2-oxiranyl]-1-oxaspiro[2.5]oct-6-ylester
  • TNP-470
  • 6-O-chloroacetylcarbamoylfumagillol
  • NSC642492
  • O-Chloracetyl-carbamoyl fumagillol
  • O-(chloroacetyl-carbaMoyl) fuMagillol,TNP-470
  • O-(CHLOROACETYLCARBAMOYL)FUMAGILLOLTNP-470 AGM-1470
  • (Chloracetyl) carbamic acid (3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methyl-2-butenyl)oxiranyl]-1-oxaspiro[2.5]oct-6-yl ester
  • TNP 470
  • (3R,4S,5S,6R)-5-Methoxy-4-((2R,3R)-2-methyl-3-(3-methylbut-2-en-1-yl)oxiran-2-yl)-1-oxaspiro[2
  • DSSTox_CID_21141
  • DSSTox_RID_79634
  • DSSTox_GSID_41141
  • Tox21_303433
  • (3R,4S,5S,6R)-5-methoxy-4-[(3R)-2-methyl-3-(3-methylbut-2-en-1-yl)oxiran-2-yl]-1-oxaspiro[2.5]oct-6-yl (chloroacetyl)carbamate
  • DB08633
  • BRD-K53597484-001-01-9
  • CHEBI:90748
  • AGM-1470
  • NSC 642492
  • HY-101932
  • NSC-642492
  • MSHZHSPISPJWHW-PVDLLORBSA-N
  • CARBAMIC ACID, N-(2-CHLOROACETYL)-, (3R,4S,5S,6R)-5-METHOXY-4-((2R,3R)-2-METHYL-3-(3-METHYL-2-BUTEN-1-YL)-2-OXIRANYL)-1-OXASPIRO(2.5)OCT-6-YL ESTER
  • AKOS040742752
  • CHEMBL424278
  • (3R,4S,5S,6R)-5-methoxy-4-((2R,3R)-2-methyl-3-(3-methylbut-2-en-1-yl)oxiran-2-yl)-1-oxaspiro[2.5]octan-6-yl (2-chloroacetyl)carbamate
  • DRG-0148
  • BDBM17446
  • CCRIS 8049
  • Carbamic acid, (chloroacetyl)-, 5-methoxy-4-(2-methyl-3-(3-methyl-2-butenyl)oxiranyl)-1-oxaspiro(2.5)oct-6-yl ester, (3R-(3alpha,4alpha(2R*,3R*),5beta,6beta))-
  • (3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-en-1-yl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl (chloroacetyl)carbamate
  • NCI60_014346
  • tnp 470
  • Carbamic acid, (3R,4S,5S,6R)-5-methoxy-4-[ (2R,3R)-2-methyl-3-(3-methyl-2-butenyl)oxiranyl]-1-oxaspiro[2.5]oct-6-yl ester
  • UNII-X47GR46481
  • NS00015601
  • TNP-470, >=98% (HPLC)
  • [(3R,6R,7S,8S)-7-methoxy-8-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-2-oxaspiro[2.5]octan-6-yl] N-(2-chloroacetyl)carbamate
  • Q27097825
  • O-(chloroacetylcarbamoyl)fumagillol
  • (CHLOROACETYL)CARBAMIC ACID (3R,4S,5S,5R)-5-METHOXY-4-[(2R,3R)-2-METHYL-3-(3-METHYL-2-BUTENYL)OXIRANYL]-1-OXASPIRO[2.5]OCT-6-YL ESTER
  • DTXSID0041141
  • Carbamic acid, N-(2-chloroacetyl)-, (3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methyl-2-buten-1-yl)-2-oxiranyl]-1-oxaspiro[2.5]oct-6-yl ester
  • F97067
  • 129298-91-5
  • CCG-208103
  • (3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-en-1-yl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl N-(2-chloroacetyl)carbamate
  • Tnp-470
  • TNP-470 [MI]
  • Agm 1470
  • DTXCID00819891
  • CS-8106
  • CAS-129298-91-5
  • J-005665
  • MS-26845
  • Carbamic acid, (chloroacetyl)-, (3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methyl-2-butenyl)oxiranyl]-1-oxaspiro[2.5]oct-6-yl ester
  • SCHEMBL1652694
  • NCGC00257293-01
  • X47GR46481
  • O-Chloroacetylcarbamoylfumagillol
  • NSC 642492
  • [(3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] N-(2-chloroacetyl)carbamate
物化性质
实验特性
LogP 2.94530
PSA 89.69000
折射率 1.535
沸点 Not available
熔点 Not available
蒸气压 Not available
闪点 Not available
溶解度 DMSO: >15mg/mL
比旋光度 D24 -46.6° (c = 0.44 in CHCl3)
密度 1.26
计算特性
精确分子量 401.16100
氢键供体数量 1
氢键受体数量 6
可旋转化学键数量 7
同位素质量 401.161
重原子数量 27
复杂度 636
同位素原子数量 0
确定原子立构中心数量 6
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) 2.5
拓扑分子极性表面积 89.7
分子量 401.9
相关文献
专业数据库参考
PubChemId 369976
化合物详情(旧版)

SMILES

ClCC(=O)NC(=O)O[C@H]1[C@@H](OC)C([C@@]2(CC1)OC2)[C@@]3(C)[C@H](CC=C(C)C)O3

[(3R,4S,5S,6R)-5-甲氧基-4-[(2R,3R)-2-甲基-3-(3-甲基丁-2-烯基)环氧乙烷-2-基]-1-氧杂螺[2.5]辛烷-6-醇] N-(2-氯乙酰基)氨基甲酸酯推荐生产厂家
与[(3R,4S,5S,6R)-5-甲氧基-4-[(2R,3R)-2-甲基-3-(3-甲基丁-2-烯基)环氧乙烷-2-基]-1-氧杂螺[2.5]辛烷-6-醇] N-(2-氯乙酰基)氨基甲酸酯相关的问答
960化工网为您提供[(3R,4S,5S,6R)-5-甲氧基-4-[(2R,3R)-2-甲基-3-(3-甲基丁-2-烯基)环氧乙烷-2-基]-1-氧杂螺[2.5]辛烷-6-醇] N-(2-氯乙酰基)氨基甲酸酯专业化合物百科信息,包括中文名,英文名,分子式,分子量,以及该化合物的CasNo.:129298-91-5,和相关理化性质;并提供了优质生产厂家信息包括厂家名称和联系方式等;| WAP 版:129298-91-5
平台客服 平台客服

平台在线客服