Combretastatin A4

HCID 5351344
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기본 정보

CAS
117048-59-6
표준 SMILES
COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1O
InChIKey
HVXBOLULGPECHP-WAYWQWQTSA-N
분자식
C18H20O5
평균 분자량
316.3 g/mol
단동위원소 질량
316.13107374

개요

Combretastatin A4 is a stilbenoid.

이름 및 식별자

우선 이름
Combretastatin A4
IUPAC
2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol
영어명
COMBRETASTATIN A-4
분자식
C18H20O5
분자량
316.35

이름 및 동의어

Combretastatin A4117048-59-6Combretastatin A-4Combrestatin A4Combretastatin 42'-deoxycombretastatin A12-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenolNSC-61372916U6OP69RQ3,4,5-Trimethoxy-3'-hydroxy-4'-methoxystilbene1-(3,4,5-Trimethoxyphenyl)-2-(3'-hydroxy-4'-methoxyphenyl)etheneDTXSID101025983
이름 더 보기
CA4CoMbretastatin Acombretastatin A-4 (CA-4)CS-A4CS-284CRC 87-09NSC 817373NSC-817373
Phenol, 2-methoxy-5-(2-(3,4,5-trimethoxyphenyl)ethenyl)-, (Z)-NSC6137292-methoxy-5-((Z)-2-(3,4,5-trimethoxyphenyl)ethenyl)phenolRefChem:918948DTXCID80852504NSC817373631-427-6NSC609397

데이터베이스 식별자

CAS
117048-59-6
PubChem CID
5351344
DTXSID
DTXSID101025983
ChEMBL
CHEMBL67
ChEBI
CHEBI:181391
UNII
16U6OP69RQ
EC Number
631-427-6
Nikkaji
J424.288B

물성

구조 계산 물성

XLogP
3.7
극성 표면적
57.2 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
5
회전 가능 결합 수
6
무거운 원자 수
23

실험 및 물리화학적 성질

Endocrine DisruptorsPotential endocrine disrupting compound

물리화학적 성질

녹는점
84.5 · 84.5-85.5°C
끓는 점
490.3 · 490.3±45.0 °C(Predicted)
밀도
1.184 · 1.184±0.06 g/cm3(Predicted)
저장 조건
-20 °C · -20°C
용해도
10 mg/mL · DMSO: >10mg/mL
산도 계수 (pKa)
9.65 · 9.65±0.10(Predicted)

화학적 성질

Crystalline Powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P316, P317, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (100%)

안전 데이터

wgk
2
ridadr
UN 2811
HS 번호
29095000
risk_code
23/24/25-41
hazard_code
T
safety_code
26-36/37-39-45

화학 및 산업

약리 정보

Metabolism/MetabolitesCombretastatin A4 has known human metabolites that include (2S,3S,4S,5R)-3,4,5-trihydroxy-6-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]oxane-2-carboxylic acid.
MeSH Pharmacological ClassificationAgents obtained from higher plants that have demonstrable cytostatic or antineoplastic activity.
응용 분야 · 3건

개요Combrestatin A4 (CA4) is a potent inhibitor of tubulin polymerization and displays strong inhibitory activity on tumor cell growth. Combrestatin A4 was shown to inhibit tumor growth in several cell lines including IMR32 (neuroblastoma), Hs746T (gastric carcinoma), CFPAC-1 (pancreatic carcinoma), and MCF-7 (breast cancer) with IC50 values of 2.16, 5.20, 3.46, and 18.47 nM, respectively. CA4 inhibits tubulin polymerization with an IC50 value of 2.2 μM.

용도Combretastatin is a small organic molecule found in the bark of the African bush willow tree Combretum caffrum. Combretastatin-A4 Prodrug Induces Mitotic Catastrophe in Chronic Lymphocytic Leukemia Cell Line Independent of Caspase Activation and Poly(ADP-ribose) Polymerase Cleavage. A potent cytotoxic agent which strongly inhibits the polymerization of tubulin by binding to the colchicine site.

일반 설명Combretastatin A4 belong to the class of colchicinoids compounds.

상·하류 제품 정보

공급사100 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]

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