CAS 910297-53-9 2-(4-(6-((5-((2-Chloro-6-methyl-phenyl)carbamoyl)thiazol-2-yl)amino)-2-methyl-pyrimidin-4-yl)piperazin-1-yl)acetic acid (HCID 11854012)

기본 정보

CAS: 910297-53-9
표준 SMILES: Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CC(=O)O)CC2)n1
InChIKey: VMCDXJFWSYUNPO-UHFFFAOYSA-N
분자식: C22H24ClN7O3S
평균 분자량: 502 g/mol
단동위원소 질량: 501.1349865

이름 및 식별자

우선 이름: 2-(4-(6-((5-((2-Chloro-6-methyl-phenyl)carbamoyl)thiazol-2-yl)amino)-2-methyl-pyrimidin-4-yl)piperazin-1-yl)acetic acid
IUPAC: 2-[4-[6-[[5-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-2-yl]amino]-2-methylpyrimidin-4-yl]piperazin-1-yl]acetic acid
영어명: Dasatinib Carboxylic Acid
분자식: C22H24ClN7O3S
분자량: 501.99

이름 및 동의어

910297-53-9Dasatinib metabolite M683FL89EU88BMS-5731881-Piperazineacetic acid, 4-(6-((5-(((2-chloro-6-methylphenyl)amino)carbonyl)-2-thiazolyl)amino)-2-methyl-4-pyrimidinyl)-2-(4-(6-((5-((2-Chloro-6-methyl-phenyl)carbamoyl)thiazol-2-yl)amino)-2-methyl-pyrimidin-4-yl)piperazin-1-yl)acetic acid2-[4-[6-[[5-[(2-chloro-6-methyl-phenyl)carbamoyl]thiazol-2-yl]amino]-2-methyl-pyrimidin-4-yl]piperazin-1-yl]acetic acidRefChem:1061151Dasatinib Carboxylic Acid2-[4-[6-[[5-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-2-yl]amino]-2-methylpyrimidin-4-yl]piperazin-1-yl]acetic acid2-(4-(6-((5-((2-Chloro-6-methylphenyl)carbamoyl)thiazol-2-yl)amino)-2-methylpyrimidin-4-yl)piperazin-1-yl)acetic acid4-[6-[[5-[[(2-CHLORO-6-METHYLPHENYL)AMINO]CARBONYL]-THIAZOL-2-YL]AMINO]-2-METHYL-PYRIMIDIN-4-YL]-1-PIPERAZINEACETIC ACID

이름 더 보기

M6 BMS606181dasatinib Carboxylic Carboxylic Acid4-[6-[[5-[[(2-Chloro-6-methylphenyl)amino]carbonyl]-2-thiazolyl]amino]-2-methyl-4-pyrimidinyl]-1-piperazineacetic Acid

물성

구조 계산 물성

XLogP: 1.6
극성 표면적: 152 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 10
회전 가능 결합 수: 7
무거운 원자 수: 34
형식 전하: 0
복잡도: 714

물리화학적 성질

녹는점: 192 °C · >192°C (dec.)
밀도: 1.461 · 1.461±0.06 g/cm3(Predicted)
저장 조건: Refrigerator
용해도: 에 용해됨DMSO
산도 계수 (pKa): 2.4 · 2.40±0.10(Predicted)
물리적 상태: 고체
색상: 황백색에서 연한 노란색

화학적 성질

Dasatinib Carboxylic Acid is Light yellow solid

안전 및 규제

안전 데이터

HS 번호: 29349990

화학 및 산업

응용 분야

용도Dasatinib Carboxylic Acid is an oxidative metabolite of Dasatinib (M6 metabolite); used in the treatment of cancers and immune diseases.

공급사38 곳

上海策嵘生物科技有限公司[email protected]

济南百隆化学有限公司[email protected] · [email protected]

武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]

广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]

广州佳途科技股份有限公司81960175 18933936954 · [email protected]

화합물 노트

불러오는 중…

2-(4-(6-((5-((2-Chloro-6-methyl-phenyl)carbamoyl)thiazol-2-yl)amino)-2-methyl-pyrimidin-4-yl)piperazin-1-yl)acetic acid