기본 정보
- CAS
577696-37-8- 표준 SMILES
c1coc(-c2nnc3sc(C4CCCCC4)nn23)c1- InChIKey
SWTUPSNBTSPBIH-UHFFFAOYSA-N- 분자식
- C13H14N4OS
- 평균 분자량
- 274.34 g/mol
- 단동위원소 질량
- 274.08883226
개요
Cardionogen-1 is a triazolothiadiazole that is [1,2,4]triazolo[3,4-b][1,3,4]thiadiazole which is substituted at positions 3 and 6 by 2-furyl and cyclohexyl groups, respectively. A cardiomyocyte promoter and an inhibitor of Wnt/beta-catenin dependent transcriptional activity, it induces cardiac cell formation in murine stem cells and zebrafish embryos, expanding cardiac progenitor cells. A biphasic modulator of cardiogenesis, it can act as either a promotor or inhibitor of heart formation, depending on the stage of treatment. It has a role as a Wnt signalling inhibitor. It is a triazolothiadiazole and a member of furans.
이름 및 식별자
- 우선 이름
- 6-Cyclohexyl-3-furan-2-yl-(1,2,4)triazolo(3,4-b)(1,3,4)thiadiazole
- IUPAC
- 6-cyclohexyl-3-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
- 영어명
- 6-Cyclohexyl-3-(2-furanyl)-1,2,4-triazolo[3,4-b][1,3,4]thiadiazole
- 분자식
- C13H14N4OS
- 분자량
- 274.34
이름 및 동의어
CDNG1vuc2306-cyclohexyl-3-furan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole6-cyclohexyl-3-furan-2-yl-(1,2,4)triazolo(3,4-b)(1,3,4)thiadiazoleRefChem:574666Cardionogen 1577696-37-8cardionogen-16-cyclohexyl-3-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole6-Cyclohexyl-3-(2-furanyl)-1,2,4-triazolo[3,4-b][1,3,4]thiadiazoleCDNG-1/VUC230698D5VCY7H
이름 더 보기
Cardionogen-1/vuc2301,2,4-Triazolo[3,4-b][1,3,4]thiadiazole, 6-cyclohexyl-3-(2-furanyl)-
VU0247892-31,2,4-Triazolo(3,4-b)(1,3,4)thiadiazole, 6-cyclohexyl-3-(2-furanyl)-6-Cyclohexyl-3-(2-furanyl)-1,2,4-triazolo(3,4-b)(1,3,4)thiadiazole6-cyclohexyl-3-(2-furyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole6-cyclohexyl-3-(furan-2-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazoleCDNG-1UNII-698D5VCY7HMLS000081190
데이터베이스 식별자
- CAS
577696-37-8- PubChem CID
- 663145
물성
구조 계산 물성
- XLogP
- 3.2
- 극성 표면적
- 84.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 19
- 형식 전하
- 0
- 복잡도
- 326
물리화학적 성질
- 저장 조건
- 2 · 2-8°C
- 용해도
- 5 mg/mL · DMSO: 가용성5mg/mL(투명 용액)
- 물리적 상태
- 가루
- 색상
- 흰색에서 베이지색
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (100%)
안전 데이터
- wgk
- 3
- risk_code
- 22
- hazard_code
- Xn
화학 및 산업
응용 분야
용도A small molecule promoter affecting cardiomyocyte generation through modulation of the wnt signaling pathway.
공급사11 곳
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
上海陶素生化科技有限公司021-33632979 · [email protected]
广州致雅医药科技有限公司18122150900 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
EMMX Biotechnology LLC888-539-0666 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
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