4'-(Trifluoromethyl)(1,1'-biphenyl)-2-carboxylic acid (HCID 55251)

概要

Xenalipin is a small molecule drug. Xenalipin has a monoisotopic molecular weight of 266.06 Da.

名称と識別子

優先名称: 4'-(Trifluoromethyl)(1,1'-biphenyl)-2-carboxylic acid
IUPAC: 2-[4-(trifluoromethyl)phenyl]benzoic acid
現地名: キセナリピン
英語名: 4-(Trifluoromethyl)-2'-biphenylcarboxylic acid
分子式: C14H9F3O2
分子量: 266.22

名称と別名

84392-17-6XENALIPIN2-[4-(trifluoromethyl)phenyl]benzoic acidXenalipineXenalipinaXenalipinumBW 207UDTXSID0046565BW-207UDTXCID80265654'-(Trifluoromethyl)[1,1'-biphenyl]-2-carboxylic acid28W00I603X

名称をさらに表示

キセナリピン4'-(トリフルオロメチル)ビフェニル-2-カルボン酸4'-(トリフルオロメチル)-1,1'-ビフェニル-2-カルボン酸2-(4-トリフルオロメチルフェニル)安息香酸4'-(トリフルオロメチル)-2-ビフェニルカルボン酸4-(トリフルオロメチル)-2'-ビフェニルカルボン酸4′-(トリフルオロメチル)-2-ビフェニルカルボン酸4′-(トリフルオロメチル)-1,1′-ビフェニル-2-カルボン酸4'-(トリフルオロメチル)-[1,1'-ビフェニル]-2-カルボン酸4′-(トリフルオロメチル)ビフェニル-2-カルボン酸AKOS BAR-0249RARECHEM AL BO 1014Chemical raw materialsXenalipin, 10 mM in DMSO4-(2-Carboxyphenyl)benzotrifluoride2-[4-(trifluoromethyl)phenyl]benzoate4'-TRIFLUOROMETHYL-BIPHENYL-2-CARBOXYLIC ACID

(1,1'-Biphenyl)-2-carboxylic acid, 4'-(trifluoromethyl)-4'-Trifluoromethyl-2-biphenylcarboxylic acid[1,1'-BIPHENYL]-2-CARBOXYLIC ACID, 4'-(TRIFLUOROMETHYL)-2-(4-(trifluoromethyl)phenyl)benzoic acid4'-(Trifluoromethyl)(1,1'-biphenyl)-2-carboxylic acidRefChem:9023494-(Trifluoromethyl)-2'-biphenylcarboxylic acid4'-(Trifluoromethyl)-[1,1'-biphenyl]-2-carboxylic acid

データベース識別子

CAS: 84392-17-6
PubChem CID: 55251
DTXSID: DTXSID0046565
ChEMBL: CHEMBL2104509
UNII: 28W00I603X
EC Number: 617-563-9
Nikkaji: J34.699C

物性

構造計算による物性

XLogP: 3.8
極性表面積: 37.3 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: 2
重原子数: 19
形式電荷: 0
複雑度: 319

物理化学的性質

融点: 169 · 169-171 °C(lit.)
沸点: 335.8 · 335.8±37.0 °C(Predicted)
比重(密度): 1.326 · 1.326±0.06 g/cm3(Predicted)
貯蔵温度: Sealed in dry,Room Temperature
溶解性: soluble in Methanol
外見: powder to crystal
酸解離定数(Pka): 3.7 · 3.70±0.36(Predicted)
色: White to Almost white
BRN: 7577560 · 7577560
InChI: InChI=1S/C14H9F3O2/c15-14(16,17)10-7-5-9(6-8-10)11-3-1-2-4-12(11)13(18)19/h1-8H,(H,18,19)
InChIKey: IQOMYCGTGFGDFN-UHFFFAOYSA-N
SMILES: C1(C2=CC=C(C(F)(F)F)C=C2)=CC=CC=C1C(O)=O
CAS データベース: 84392 · 84392-17-6(CAS DataBase Reference)

化学的性質

化学的特性White solid

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

wgk: 3
hs_code: 29162090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36/37/39-36/37
hazard_class: IRRITANT
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野 · 2 件

使用Hypolipidemic.

一般的な説明4′-(Trifluoromethyl)-2-biphenylcarboxylic acid (xenalipin) has been tested as an effective hypolipidemic agent in animal species. It has been shown to cause significant reduction in serum cholesterol and triglyceride levels in animal models and would be beneficial in therapy for hyperlipidemia. Synthesis of 4′-(trifluoromethyl)-2-biphenylcarboxylic acid (xenalipin) has been reported. Xenalipin has been synthesized in the [14C]-labelled form, with specific activity 21.0mCi/mmol, which is suitable for the metabolism and distribution studies in animals.