タラロゾール

Talarozole

HCID 9799888

基本情報

CAS: 201410-53-9
標準SMILES: CCC(CC)C(c1ccc(Nc2nc3ccccc3s2)cc1)n1cncn1
InChIKey: SNFYYXUGUBUECJ-UHFFFAOYSA-N
分子式: C21H23N5S
平均分子量: 377.5 g/mol
単同位体質量: 377.16741693

概要

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.

名称と識別子

優先名称: Talarozole
IUPAC: N-[4-[2-ethyl-1-(1,2,4-triazol-1-yl)butyl]phenyl]-1,3-benzothiazol-2-amine
現地名: タラロゾール
英語名: R 115866
分子式: C21H23N5S
分子量: 377.51

名称と別名

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

名称をさらに表示

タラロゾールN-[4-[1-(1H-1,2,4-トリアゾール-1-イル)-2-エチルブチル]フェニル]ベンゾチアゾール-2-アミンN-(2-ベンゾチアゾリル)-N-[4-[2-エチル-1-[1H-1,2,4-トリアゾール-1-イル]ブチル]フェニル]アミンN-{4-[2-エチル-1-(1H-1,2,4-トリアゾール-1-イル)ブチル]フェニル}-1,3-ベンゾチアゾール-2-アミン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

物性

構造計算による物性

XLogP: 6
極性表面積: 83.9 Å²
水素結合供与体数: 1
水素結合受容体数: 5
回転可能結合数: 7
重原子数: 27
形式電荷: 0
複雑度: 452

物理化学的性質

沸点: 561 · 561.0±60.0 °C(Predicted)
比重(密度): 1.26 · 1.26±0.1 g/cm3(Predicted)
貯蔵温度: -20 °C · Keep in dark place,Sealed in dry,Store in freezer, under -20°C
溶解性: Soluble in DMSO
外見: Powder
酸解離定数(Pka): 2.7 · 2.70±0.10(Predicted)
色: 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

安全と法規制

安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。

安全データ

注意喚起語: 警告
危険有害性情報: コード危険有害性情報危険有害性クラス区分注意喚起語シンボル P コード H302

化学と産業

薬理情報

Mechanism of Action · 1 件

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.

応用分野

使用Talarozole is a retinoic acid metabolism blocking agent (RAMBA) that can be used for treating dermatalogical diseases such as psoriasis and acne.

サプライヤー37 社

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]

化合物ノート

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基本情報

CAS: 201410-53-9
標準SMILES: CCC(CC)C(c1ccc(Nc2nc3ccccc3s2)cc1)n1cncn1
InChIKey: SNFYYXUGUBUECJ-UHFFFAOYSA-N
分子式: C21H23N5S
平均分子量: 377.5 g/mol
単同位体質量: 377.16741693

概要