기본 정보
- CAS
125697-92-9- 표준 SMILES
O=C(O)c1cc(N(Cc2ccccc2O)Cc2cc(O)ccc2O)ccc1O- InChIKey
ULTTYPMRMMDONC-UHFFFAOYSA-N- 분자식
- C21H19NO6
- 평균 분자량
- 381.4 g/mol
- 단동위원소 질량
- 381.12123733
개요
5-[(2,5-dihydroxyphenyl)methyl-[(2-hydroxyphenyl)methyl]amino]-2-hydroxybenzoic acid is an aromatic amine.
이름 및 식별자
- 우선 이름
- Lavendustin A
- IUPAC
- 5-[(2,5-dihydroxyphenyl)methyl-[(2-hydroxyphenyl)methyl]amino]-2-hydroxybenzoic acid
- 영어명
- LAVENDUSTIN A
- 분자식
- C21H19NO6
- 분자량
- 381.38
이름 및 동의어
Lavendustin A125697-92-9RG14355RG-143553Y0G32G2RVNSC-678027Benzoic acid, 5-(((2,5-dihydroxyphenyl)methyl)((2-hydroxyphenyl)methyl)amino)-2-hydroxy-DTXSID00154855NSC6780275-amino-((N-2,5-dihydroxybenzyl)-N'-2-hydroxybenzyl)aminosalicylic acid5-[(2,5-dihydroxyphenyl)methyl-[(2-hydroxyphenyl)methyl]amino]-2-hydroxybenzoic acidBenzoic acid, 5-[[(2,5-dihydroxyphenyl)methyl][(2-hydroxyphenyl)methyl]amino]-2-hydroxy-
이름 더 보기
Lavendustin A,98%LAVENDUSTIN A USP/EP/BPLavendustin A, tyrosine kinase inhibitorLavendustin A - CAS 125697-92-9 - Calbiochem5-AMINO-[(N-2,5-DIHYDROXYBENZYL)-N'-2-HYDROXYBENZYL]SALICYLIC ACID5-[(2,5-Dihydroxybenzyl)(2-hydroxybenzyl)amino]-2-hydroxybenzoic acid
5-((2,5-dihydroxyphenyl)methyl-((2-hydroxyphenyl)methyl)amino)-2-hydroxybenzoic acidRefChem:152552DTXCID60773465-(((2,5-Dihydroxyphenyl)methyl)((2-hydroxyphenyl)methyl)amino)-2-hydroxy Benzoic AcidBenzoic acid, 5-(((2, 5-dihydroxyphenyl)methyl)((2-hydroxyphenyl)methyl)amino)-2-hydroxy-5-[[(2,5-Dihydroxyphenyl)methyl][(2-hydroxyphenyl)methyl]amino]-2-hydroxybenzoic acidCHEMBL103552NSC 678027
물성
구조 계산 물성
- XLogP
- 3.7
- 극성 표면적
- 121 Ų
- 수소 결합 공여자 수
- 5
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 517
물리화학적 성질
- 녹는점
- 205 · 205-215 °C
- 끓는 점
- 741.7 · 741.7±60.0 °C(Predicted)
- 밀도
- 1.495 · 1.495±0.06 g/cm3(Predicted)
- 저장 조건
- 20 °C · −20°C
- 용해도
- DMSO: 용해될 수 있다
- 물리적 상태
- 수정 같은
- 산도 계수 (pKa)
- 2.31 · 2.31±0.10(Predicted)
- 색상
- 노란색에서 갈색으로
- 안정성
- 습기에 민감한: 흡습성
- InChI
- 1S/C21H19NO6/c23-16-6-8-19(25)14(9-16)12-22(11-13-3-1-2-4-18(13)24)15-5-7-20(26)17(10-15)21(27)28/h1-10,23-26H,11-12H2,(H,27,28)
- InChIKey
- ULTTYPMRMMDONC-UHFFFAOYSA-N
- SMILES
- N(Cc3c(ccc(c3)O)O)(Cc2c(cccc2)O)c1cc(c(cc1)O)C(=O)O
화학적 성질
Off-White Solid
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- 3
- HS 번호
- 29225000
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 37/39-26
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
MeSH Pharmacological ClassificationCompounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.
응용 분야
개요Lavendustin A is a selective inhibitor of epidermal growth factor (EGF) receptor-associated tyrosine kinase (IC50 = 11 nM) that was first isolated from a Streptomyces culture filtrate. It does not inhibit protein kinase A (PKA), PKC, or PI3K (IC50s > 100 μM). It has been used to differentiate rat mesenchymal stem cells, to inhibit NMDA-stimulated cGMP production, and to inhibit VEGF-induced angiogenesis.
공급사45 곳
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
上海遐瑞医药科技有限公司+86-021-61551413 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
United Life Science020-82099279 18988968278 · [email protected]
InvivoChem中国13549236410 · [email protected]
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