기본 정보
- CAS
138977-28-3- 표준 SMILES
Oc1cc2c(cc1O)CN(C(=S)NCCc1ccc(Cl)cc1)CCC2- InChIKey
DRCMAZOSEIMCHM-UHFFFAOYSA-N- 분자식
- C19H21ClN2O2S
- 평균 분자량
- 376.9 g/mol
- 단동위원소 질량
- 376.1012268
개요
Capsazepine is a benzazepine that is 2,3,4,5-tetrahydro-1H-2-benzazepine which is substituted by hydroxy groups at positions 7 and 8 and on the nitrogen atom by a 2-(p-chlorophenyl)ethylaminothiocarbonyl group. A synthetic analogue of capsaicin, it was the first reported capsaicin receptor antagonist. It has a role as a capsaicin receptor antagonist. It is a member of catechols, a benzazepine, a member of thioureas and a member of monochlorobenzenes.
이름 및 식별자
- 우선 이름
- Capsazepine
- IUPAC
- N-[2-(4-chlorophenyl)ethyl]-7,8-dihydroxy-1,3,4,5-tetrahydro-2-benzazepine-2-carbothioamide
- 현지명
- 캡사제핀
- 영어명
- CAPSAZEPINE
- 분자식
- C19H21ClN2O2S
- 분자량
- 376.9
이름 및 동의어
capsazepine138977-28-3N-[2-(4-Chlorophenyl)ethyl]-1,3,4,5-tetrahydro-7,8-dihydroxy-2H-2-benzazepine-2-carbothioamideN-[2-(4-chlorophenyl)ethyl]-7,8-dihydroxy-1,3,4,5-tetrahydro-2-benzazepine-2-carbothioamideLFW48MY844CHEBI:70773DTXSID20160852N-[2-(4-chlorophenyl)ethyl]-7,8-dihydroxy-1,3,4,5-tetrahydro-2H-2-benzazepine-2-carbothioamideN-(2-(4-chlorophenyl)ethyl)-1,3,4,5-tetrahydro-7,8-dihydroxy-2H-2-Benzazepine-2-carbothioamideN-(2-[4-chlorophenyl]ethyl)-1,3,4,5-tetrahydro-7,8-dihydroxy-2H-2-benzazepine-2-carbothioamideN-(2-(4-chlorophenyl)ethyl)-7,8-dihydroxy-1,3,4,5-tetrahydro-2-benzazepine-2-carbothioamideN-(2-(4-chlorophenyl)ethyl)-7,8-dihydroxy-1,3,4,5-tetrahydro-2H-2-benzazepine-2-carbothioamide
이름 더 보기
캡사제핀capasazepineCapsazepine,98%Capsazepine, 10 mM in DMSOCapsazepine, TRPV1 antagonistCAPSAZEPINE SYNTHETIC ANALOG OF C8-dihydroxy-2H-2-benzazepine-2-carbothioamide78-DIHYDROXY-2H-2-BENZAZEPINE-2-CARBOTHIOAMIDE
물성
구조 계산 물성
- XLogP
- 3.9
- 극성 표면적
- 87.8 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 445
물리화학적 성질
- 녹는점
- 155 · 155-157°C
- 끓는 점
- 581.1 · 581.1±60.0 °C(Predicted)
- 밀도
- 1.35 · 1.350±0.06 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C
- 용해도
- 메탄올 에 용해됨
- 산도 계수 (pKa)
- 9.73 · 9.73±0.20(Predicted)
- 물리적 상태
- 고체
- 색상
- 회백색
- InChI
- InChI=1S/C19H21ClN2O2S/c20-16-5-3-13(4-6-16)7-8-21-19(25)22-9-1-2-14-10-17(23)18(24)11-15(14)12-22/h3-6,10-11,23-24H,1-2,7-9,12H2,(H,21,25)
- InChIKey
- DRCMAZOSEIMCHM-UHFFFAOYSA-N
- SMILES
- N1(C(NCCC2=CC=C(Cl)C=C2)=S)CC2=CC(O)=C(O)C=C2CCC1
화학적 성질
Light Yellow Solid
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- 3
- ridadr
- 2811
- risk_code
- 20/21/22-36/37/38
- hazard_code
- Xn
- safety_code
- 22-24/25-36-26
- 포장분류
- II
- 위험 등급
- 6.1(a)
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
개요Transient receptor potential vanilloid type 1 (TRPV1) is a member of the transient receptor potential (TRP) family that is activated or sensitized by a variety of endogenous stimuli as a result of tissue injury and inflammation. TRPV1 is upregulated during inflammation and plays a role in the perception of pain. Capsazepine is a competitive antagonist of transient receptor potential vanilloid type 1 (TRPV1) which blocks the capsaicin-induced uptake of Ca2+ in neonatal rat dorsal root ganglia with an IC50 of 0.42 μM and Chinese hamster ovary cells with an IC50 of 17 nM. It does not block acid- or heat-induced activation of TRPV1 and may block receptors other than TRPV1.
용도Capsazepine is shown to inhibit the development of mechanical hyperalgesia induced by intraplanar capsaicin injection. Capsazepine is described to block Resiniferatoxin (sc-24015)- and Capsaicin-induced contractions of guinea pig treacheal smooth muscle. Studies investigating the function of the VR1 (TRPV1 receptor) have employed Capsazepine as a tool for perturbing systemic neuronal response to Capsaicin.
공급사100 곳
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
南通飞宇生物科技有限公司0513-68819626 15152877458 · [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]
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
上海优宁维生物科技股份有限公司15921930842 15921930842 · [email protected]
南京林叶化学试剂有限公司13376084917 13376082704 · [email protected]
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