기본 정보
- CAS
448947-81-7- 표준 SMILES
Clc1cccc(Cl)c1CSc1nnc(-c2cnccn2)s1- InChIKey
BQNXBSYSQXSXPT-UHFFFAOYSA-N- 분자식
- C13H8Cl2N4S2
- 평균 분자량
- 355.3 g/mol
- 단동위원소 질량
- 353.956744
개요
Yoda 1 is a member of the class of thiadiazoles that is 1,3,4-thiadiazole substituted by pyrazin-2-yl and (2,6-dichlorobenzyl)sulfanediyl groups at positions 2 and 5, respectively. It is a selective activator of mechanosensitive channel piezo1. It has a role as a piezo1 agonist and a glycine transporter 2 inhibitor. It is an organic sulfide, a dichlorobenzene, an aromatic compound, a member of thiadiazoles and a member of pyrazines.
이름 및 식별자
- 우선 이름
- Yoda-1
- IUPAC
- 2-[(2,6-dichlorophenyl)methylsulfanyl]-5-pyrazin-2-yl-1,3,4-thiadiazole
- 영어명
- GlyT2-IN-1
- 분자식
- C13H8Cl2N4S2
- 분자량
- 355.27
이름 및 동의어
448947-81-7Yoda1YODA-1TW6GF9RW6SDTXSID3013372712-(5-(((2,6-Dichlorophenyl)methyl)thio)-1,3,4-thiadiazol-2-yl)pyrazine2-(5-((2,6-dichlorophenyl)methylsulfanyl)-1,3,4-thiadiazol-2-yl)pyrazine2-[5-[(2,6-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]pyrazineRefChem:195705DTXCID301767670998-870-8Yoda 1
이름 더 보기
CS-2063Yoda1 >=98% (HPLC)GlyT2-IN-1(YODA 1)Yoda 1 (GlyT2-IN-1)Yoda 1, 10 mM in DMSO2-[5-[[(2,6-Dichlorophenyl)methyl]thio]-1,3,4-thiadiazol-2-yl]pyrazinePyrazine, 2-[5-[[(2,6-dichlorophenyl)methyl]thio]-1,3,4-thiadiazol-2-yl]-
GlyT2-IN-12-((2,6-dichlorobenzyl)thio)-5-(pyrazin-2-yl)-1,3,4-thiadiazoleMFCD008331752-[(2,6-dichlorophenyl)methylsulfanyl]-5-pyrazin-2-yl-1,3,4-thiadiazoleCHEMBL43033742-[5-(2,6-Dichloro-benzylsulfanyl)-[1,3,4]thiadiazol-2-yl]-pyrazine2-(5-(((2,6-Dichlorophenyl)methyl)sulfanyl)-1,3,4-thiadiazol-2-yl)pyrazine2-[(2,6-dichlorophenyl)methylthio]-5-(pyrazin-2-yl)-1,3,4-thiadiazole
데이터베이스 식별자
물성
구조 계산 물성
- XLogP
- 3.5
- 극성 표면적
- 105 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 329
물리화학적 성질
- 녹는점
- 136 · 136 - 138°C
- 끓는 점
- 538.4 · 538.4±60.0 °C(Predicted)
- 밀도
- 1.58 · 1.58±0.1 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C
- 용해도
- DMSO(약간 용해됨), 메탄올(매우 소량)
- 물리적 상태
- 가루
- 산도 계수 (pKa)
- -1.32 · -1.32±0.10(Predicted)
- 색상
- 흰색에서 베이지색
- InChI
- 1S/C13H8Cl2N4S2/c14-9-2-1-3-10(15)8(9)7-20-13-19-18-12(21-13)11-6-16-4-5-17-11/h1-6H,7H2
- InChIKey
- BQNXBSYSQXSXPT-UHFFFAOYSA-N
- SMILES
- [s]1c(nnc1c3nccnc3)SCc2c(cccc2Cl)Cl
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (100%)
안전 데이터
- wgk
- WGK 3
- HS 번호
- 2934999090
- Hazard Classifications
- Acute Tox. 4 Oral
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도Yoda 1 is a piezo1 channel activator, sensitizes piezo1 to activation by pressure and slows the inactivation phase of transient currents in human embryonic kidney (HEK) cells.
일반 설명Yoda1 is a novel synthetic small molecule developed to study the kinetics, regulation and function of the cation channel Piezo-type mechanosensitive ion channel component 1 (Piezo1).
공급사71 곳
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
湖南韵邦生物科技股份有限公司0731-88532326 13319508186 · [email protected]
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]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
咸宁深蓝生物医药研发有限公司18171815831 · [email protected]
上海优宁维生物科技股份有限公司15921930842 15921930842 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
湖北科乐精细化工有限公司027-59101668 19945030958 · [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
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