기본 정보
- CAS
179033-51-3- 표준 SMILES
COc1cc(C(=O)C(=O)N(C)[C@@H](Cc2ccc(Cl)cc2)C(=O)N(Cc2ccccc2)C(CCc2ccncc2)CCc2ccncc2)cc(OC)c1OC- InChIKey
MQSMWZHHUGSULF-QNGWXLTQSA-N- 분자식
- C43H45ClN4O6
- 평균 분자량
- 749.3 g/mol
- 단동위원소 질량
- 748.3027629
개요
Timcodar has been used in trials studying the treatment of Unspecified Adult Solid Tumor, Protocol Specific.
이름 및 식별자
- 우선 이름
- Timcodar
- IUPAC
- (2S)-N-benzyl-3-(4-chlorophenyl)-N-(1,5-dipyridin-4-ylpentan-3-yl)-2-[methyl-[2-oxo-2-(3,4,5-trimethoxyphenyl)acetyl]amino]propanamide
- 현지명
- 티맥코다르
- 영어명
- TiMcodar
- 분자식
- C43H45ClN4O6
- 분자량
- 749.29
이름 및 동의어
Timcodar179033-51-3vx-853VX853VX 853U141W322WZ(2S)-N-benzyl-3-(4-chlorophenyl)-N-(1,5-dipyridin-4-ylpentan-3-yl)-2-[methyl-[2-oxo-2-(3,4,5-trimethoxyphenyl)acetyl]amino]propanamide(S)-N-Benzyl-p-chloro-alpha-(N-methyl-2-(3,4,5-trimethoxyphenyl)glyoxylamido)-N-(3-(4-pyridyl)-1-(2-(4-pyridyl)ethyl)propyl)hydrocinnamamidetimcodarum(2S)-N-benzyl-3-(4-chlorophenyl)-N-(1,5-dipyridin-4-ylpentan-3-yl)-2-(methyl-(2-oxo-2-(3,4,5-trimethoxyphenyl)acetyl)amino)propanamideVX853 cpdRefChem:190027
이름 더 보기
티맥코다르Timcodar ,VX-853TimcodarQ: What is Timcodar Q: What is the CAS Number of Timcodar(S)-N-benzyl-3-(4-chlorophenyl)-N-(1,5-di(pyridin-4-yl)pentan-3-yl)-2-(N-methyl-2-oxo-2-(3,4,5-trimethoxyphenyl)acetamido)propanamideBenzenepropanamide, 4-chloro-α-[methyl[2-(3,4,5-trimethoxyphenyl)-2-oxoacetyl]amino]-N-(phenylmethyl)-N-[3-(4-pyridinyl)-1-[2-(4-pyridinyl)ethyl]propyl]-, (αS)-
(2S)-N-benzyl-N-(1,5-bis(pyridin-4-yl)pentan-3-yl)-3-(4-chlorophenyl)-2-(N-methyl-2-oxo-2-(3,4,5-trimethoxyphenyl)acetamido)propanamideTimcodar [INN]UNII-U141W322WZTIMCODAR [WHO-DD]orb1741308SCHEMBL3673444CHEMBL2059028GTPL10868
데이터베이스 식별자
- CAS
179033-51-3- PubChem CID
- 9811664
- DTXSID
DTXSID80870142- ChEMBL
CHEMBL2059028- UNII
- U141W322WZ
물성
구조 계산 물성
- XLogP
- 7.4
- 극성 표면적
- 111 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 18
- 무거운 원자 수
- 54
- 형식 전하
- 0
- 복잡도
- 1,100
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
물리화학적 성질
- 끓는 점
- 878.7 · 878.7±75.0 °C(Predicted)
- 밀도
- 1.23 · 1.230±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 6.28 · 6.28±0.10(Predicted)
화학 및 산업
공급사8 곳
北京华美互利生物化工010-56205725 · [email protected]
United Life Science020-82099279 18988968278 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
苏州美石生物科技有限公司1173954148q · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海阿摩尔生物科技有限公司13370042665 18916960931 · [email protected]
山东子易医药有限公司13173053288 · [email protected]
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