Daltroban

HCID 54343CAS 79094-20-5

기본 정보

표준 SMILES
O=C(O)Cc1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIKey
IULOBWFWYDMECP-UHFFFAOYSA-N
분자식
C16H16ClNO4S
평균 분자량
353.8 g/mol
단동위원소 질량
353.04885667

개요

Daltroban is a small molecule drug. Daltroban has a monoisotopic molecular weight of 353.05 Da.

이름 및 식별자

우선 이름
Daltroban
IUPAC
2-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenyl]acetic acid
영어명
Daltroban
분자식
C16H16ClNO4S
분자량
353.82

이름 및 동의어

DALTROBAN79094-20-5BM-13505DaltrobanumSKF-96148SKF 961482-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenyl]acetic acidBM 13.505SK&F 96148DTXSID6046501S25VDY08ZCSKF96148
이름 더 보기
Daltroban USP/EP/BPDatelliptiumChlorideDaltroban >98% (HPLC)Daltroban, 10 mM in DMSO4-[2-(4-Chlorobenzene-sulfonamido)ethyl]benzeneacetic acid4-[2-[(4-CHLOROPHENYLSULFONYL)AMINO]ETHYL]BENZENEACETIC ACID2-[4-[2-(4-chlorophenyl)sulfonylaminoethyl]phenyl]acetic acid
BM13505DTXCID40265012-(4-(2-((4-chlorophenyl)sulfonylamino)ethyl)phenyl)acetic acid4-(2-(4-Chlorophenylsulfonylamino)ethyl)phenylacetic acid4-(2-(4-Chlorobenzenesulfonylamino)ethyl)benzeneacetic acidRefChem:585160635-983-0BM 13505

데이터베이스 식별자

CAS
79094-20-5
PubChem CID
54343
DTXSID
DTXSID6046501
ChEMBL
CHEMBL71685
UNII
S25VDY08ZC
EC Number
635-983-0
Nikkaji
J153.943D

물성

구조 계산 물성

XLogP
2.9
극성 표면적
91.9 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
5
회전 가능 결합 수
7
무거운 원자 수
23

물리화학적 성질

녹는점
132.5 · 132.5-137.4 °C(lit.)
끓는 점
555.3 · 555.3±60.0 °C(Predicted)
밀도
1.378 · 1.378±0.06 g/cm3(Predicted)
저장 조건
-20 °C · Store at -20°C
용해도
22 mg/mL,에 · DMSO: 22mg/mL,에 용해됨
산도 계수 (pKa)
4.33 · 4.33±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+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 CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk
3
risk_code
36/37/38
hazard_code
Xi
safety_code
26-36/37
Hazard Classifications
Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스
11 - Combustible Solids

화학 및 산업

약리 정보

MeSH Pharmacological Classification · 2건

Agents that suppress immune function by one of several mechanisms of action. Classical cytotoxic immunosuppressants act by inhibiting DNA synthesis. Others may act through activation of T-CELLS or by inhibiting the activation of HELPER CELLS. While immunosuppression has been brought about in the past primarily to prevent rejection of transplanted organs, new applications involving mediation of the effects of INTERLEUKINS and other CYTOKINES are emerging.

Drugs or agents which antagonize or impair any mechanism leading to blood platelet aggregation, whether during the phases of activation and shape change or following the dense-granule release reaction and stimulation of the prostaglandin-thromboxane system.

응용 분야 · 2건

개요Daltroban (BM 13505, SKF 96148), a specific thromboxane A2 receptor antagonist, was studied as an antithrombotic agent. Daltroban increases intracellular calcium in vascular smooth muscle cells. Daltroban shows a protective effect in reperfusion injury. The drug was licensed to Smith Kline Beecham and underwent phase III clinical trials in the UK and Germany as an antithrombotic agent but did not enter clinical trials in the USA. Besides, вaltroban was investigated in patients with an ischemic heart disorder. However, the development of daltroban has been discontinued.

용도Daltroban can be used as a2 receptor to target adipose-derived stem cell for treating ischemic diseases.

공급사22 곳

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
LGM Pharma1-(800)-881-8210 · [email protected]
安耐吉化学&3A(安徽泽升科技有限公司)021-58432009 400-005-6266 · [email protected]
欧利希(湖北)医药科技有限公司17316404525 17316404525 · [email protected]

관련 반응

4건

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