기본 정보
- CAS
201410-53-9- 표준 SMILES
CCC(CC)C(c1ccc(Nc2nc3ccccc3s2)cc1)n1cncn1- InChIKey
SNFYYXUGUBUECJ-UHFFFAOYSA-N- 분자식
- C21H23N5S
- 평균 분자량
- 377.5 g/mol
- 단동위원소 질량
- 377.16741693
개요
N-{4-[2-ethyl-1-(1,2,4-triazol-1-yl)butyl]phenyl}-1,3-benzothiazol-2-amine is a member of the class of benzothiazoles that is 2-amino-1,3-benzothiazole in which one of the amino hydrogens is replaced by a 4-[2-ethyl-1-(1H-1,2,4-triazol-1-yl)butyl]phenyl group. It is an aromatic amine, a member of triazoles, a member of benzothiazoles and a secondary amino compound.
이름 및 식별자
- 우선 이름
- Talarozole
- IUPAC
- N-[4-[2-ethyl-1-(1,2,4-triazol-1-yl)butyl]phenyl]-1,3-benzothiazol-2-amine
- 영어명
- R 115866
- 분자식
- C21H23N5S
- 분자량
- 377.51
이름 및 동의어
Talarozole201410-53-9RambazoleR115866R-115866TalarozolXKD9N5CJ6WR 115866DTXSID70942185N-{4-[2-ethyl-1-(1H-1,2,4-triazol-1-yl)butyl]phenyl}-1,3-benzothiazol-2-amineN-(4-((1RS)-2-Ethyl-1-(1H-1,2,4-triazol-1-yl)butyl)phenyl)benzothiazol-2-aminetalarozolum
이름 더 보기
Talarozole, 10 mM in DMSON-[4-[2-Ethyl-1-(1H-1,2,4-triazol-1-yl)butyl]phenyl]-2-benzothiazolamineN-[4-[2-ethyl-1-(1,2,4-triazol-1-yl)butyl]phenyl]-1,3-benzothiazol-2-amineN-(4-(2-Ethyl-1-(1H-1,2,4-triazol-1-yl)butyl)phenyl)benzo[d]thiazol-2-amine)Retinoid X receptors,R 115866,Retinoic acid receptors,RAR/RXR,inhibit,Talarozole,Cytochrome P450,CYPs,Inhibitor,Autophagy,R-115866
N-(4-(2-ethyl-1-(1H-1,2,4-triazol-1-yl)butyl)phenyl)-1,3-benzothiazol-2-amineN-[4-[(1RS)-2-Ethyl-1-(1H-1,2,4-triazol-1-yl)butyl]phenyl]benzothiazol-2-amineRefChem:890778DTXCID90224394CHEBI:101854(+)-TalarozoleN-(4-(2-ethyl-1-(1H-1,2,4-triazol-1-yl)butyl)phenyl)benzo[d]thiazol-2-amine(-)-Talarozole
데이터베이스 식별자
물성
구조 계산 물성
- XLogP
- 6
- 극성 표면적
- 83.9 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 452
물리화학적 성질
- 끓는 점
- 561 · 561.0±60.0 °C(Predicted)
- 밀도
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- 저장 조건
- -20 °C · Keep in dark place,Sealed in dry,Store in freezer, under -20°C
- 용해도
- DMSO에 용해됨
- 물리적 상태
- 가루
- 산도 계수 (pKa)
- 2.7 · 2.70±0.10(Predicted)
- 색상
- White to off-white
- InChI
- InChI=1S/C21H23N5S/c1-3-15(4-2)20(26-14-22-13-23-26)16-9-11-17(12-10-16)24-21-25-18-7-5-6-8-19(18)27-21/h5-15,20H,3-4H2,1-2H3,(H,24,25)
- InChIKey
- SNFYYXUGUBUECJ-UHFFFAOYSA-N
- SMILES
- S1C2=CC=CC=C2N=C1NC1=CC=C(C(N2C=NC=N2)C(CC)CC)C=C1
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- 신호 어
- Warning
- 유해·위험 문구
- 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302
화학 및 산업
약리 정보
Mechanism of Action
Rambazole is a new generation all-trans retinoic acid metabolism blocking agent, highly specific against the retinoic acid 4-hydroxylase. The drug alleviates hyperproliferation and normalizes differentiation of the epidermis in animal models of psoriasis. All-trans-retinoic acid (RA) regulates epithelial differentiation and growth through activation of specific nuclear RA receptors (RARs). Rambazole acts by inhibiting the metabolic breakdown of the retinoid, increasing the biological efficacy of RA.
MeSH Pharmacological ClassificationDrugs and compounds which inhibit or antagonize the biosynthesis or actions of CYTOCHROME P-450 ENZYMES.
응용 분야
용도Talarozole is a retinoic acid metabolism blocking agent (RAMBA) that can be used for treating dermatalogical diseases such as psoriasis and acne.
공급사37 곳
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
Aladdin Scientific[email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
泰州市众致生物科技有限公司[email protected] 15066129350 · [email protected]
上海伯韵医药科技有限公司13817873692 · [email protected]
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