ChemicalBook > CAS DataBase List > 3-(3,4-Difluorobenzoyl)-1,2,3,6-tetrahydro-1,1-dimethylazepino[4,5-b]indole-5-carboxylic acid 1-methylethyl ester

3-(3,4-Difluorobenzoyl)-1,2,3,6-tetrahydro-1,1-dimethylazepino[4,5-b]indole-5-carboxylic acid 1-methylethyl ester

Product Name: 3-(3,4-Difluorobenzoyl)-1,2,3,6-tetrahydro-1,1-dimethylazepino[4,5-b]indole-5-carboxylic acid 1-methylethyl ester
CAS No.: 629664-81-9
Chemical Name: 3-(3,4-Difluorobenzoyl)-1,2,3,6-tetrahydro-1,1-dimethylazepino[4,5-b]indole-5-carboxylic acid 1-methylethyl ester
Synonyms: XL335;CS-899;Fxr 450;Way 362450;Unii-S6kdm312I5;WAY-362450 (XL335;Turofexorate isopropyl;WAY-362450 >=98% (HPLC);WAY362450 - FXR450 - XL335;XL335;TUROFEXORATE ISOPROPYL
CBNumber: CB22484921
Molecular Formula: C25H24F2N2O3
Formula Weight: 438.47
MOL File: 629664-81-9.mol

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3-(3,4-Difluorobenzoyl)-1,2,3,6-tetrahydro-1,1-dimethylazepino[4,5-b]indole-5-carboxylic acid 1-methylethyl ester Property

Boiling point:: 617.3±55.0 °C(Predicted)
Density: 1.275
storage temp.: room temp
solubility: DMSO : 25 mg/mL (57.02 mM; Need ultrasonic)
pka: 16.49±0.60(Predicted)
form: powder
color: white to beige
InChI: InChI=1S/C25H24F2N2O3/c1-14(2)32-24(31)17-12-29(23(30)15-9-10-18(26)19(27)11-15)13-25(3,4)21-16-7-5-6-8-20(16)28-22(17)21/h5-12,14,28H,13H2,1-4H3
InChIKey: INASOKQDNHHMRE-UHFFFAOYSA-N
SMILES: N1C2=C(C=CC=C2)C2C(C)(C)CN(C(=O)C3=CC=C(F)C(F)=C3)C=C(C(OC(C)C)=O)C1=2

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

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N-Bromosuccinimide Price

Sigma-Aldrich

Product number: PZ0267
Product name: WAY-362450
Purity: ≥98% (HPLC)
Packaging: 5MG
Price: $112
Updated: 2023/06/20

Sigma-Aldrich

Product number: PZ0267
Product name: WAY-362450
Purity: ≥98% (HPLC)
Packaging: 25MG
Price: $451
Updated: 2023/06/20

Cayman Chemical

Product number: 23350
Product name: XL335
Purity: ≥98%
Packaging: 5mg
Price: $97
Updated: 2024/03/01

Cayman Chemical

Product number: 23350
Product name: XL335
Purity: ≥98%
Packaging: 10mg
Price: $175
Updated: 2024/03/01

Cayman Chemical

Product number: 23350
Product name: XL335
Purity: ≥98%
Packaging: 25mg
Price: $385
Updated: 2024/03/01

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3-(3,4-Difluorobenzoyl)-1,2,3,6-tetrahydro-1,1-dimethylazepino[4,5-b]indole-5-carboxylic acid 1-methylethyl ester Chemical Properties,Usage,Production

Uses

Turofexorate isopropyl (FXR-450) is a potent, selective, and orally bioavailable FXR agonist with EC50 of 4 nM[1].

Definition

ChEBI: Turofexorate isopropyl is a member of indoles.

Biochem/physiol Actions

WAY-362450 is a potent and selective Farnesoid X receptor (FXR) agonist that lowers total plasma cholesterol (all lipoprotein species). WAY-362450 reduced the levels of high-density lipoprotein cholesterol (HDLc) in Cynomolgus monkeys, mice and hamsters. Apparently HDL lowering is achieved through increased transhepatic cholesterol efflux.

in vivo

Turofexorate isopropyl (WAY-362450) also shows potent effects on cholesterol and triglyceride lowering in LDLR^-/- mice and antiatherogenic activity with respect to reduction of aortic arch lesions. Oral administration of Turofexorate isopropyl (WAY-362450) to LDLR^-/- mice results in lowering of cholesterol and triglycerides. Chronic administration in an atherosclerosis model results in significant reduction in aortic arch lesions. Turofexorate isopropyl (WAY-362450) is dosed in rat at 3 mg/kg (po and iv) and shows good oral bioavailability (38%). There is a protracted half-life of 25 h, modest volume of distribution, and low clearance (3.3 L/kg, ~10% of hepatic blood flow). Additional pharmacokinetic studies in mice and higher species have been completed, and the data will be reported elsewhere^[1]. In rats, Turofexorate isopropyl (WAY-362450) results in an elevation in HDLc levels, whereas in hamsters it causes a reduction similar to that observed in mice^[2] Treatment of wild-type mice with 30 mg/kg Turofexorate isopropyl (WAY-362450) results in induction of SHP expression in wild-type mice but not in FXR^-/- mice. Consistent with the known effects of SHP induction on bile acid synthetic gene expression, Turofexorate isopropyl (WAY-362450) strongly represses expression of the CYP8B1 bile acid synthetic gene in wild-type mice but had no effect on CYP8B1 gene expression in FXR^-/- mice^[3].

References

[1] Flatt B, et al. Discovery of XL335 (WAY-362450), a highly potent, selective, and orally active agonist of the farnesoid X receptor (FXR). J Med Chem. 2009 Feb 26;52(4):904-7. DOI:10.1021/jm8014124
[2] Evans MJ, et al. A synthetic farnesoid X receptor (FXR) agonist promotes cholesterol lowering in models of dyslipidemia. Am J Physiol Gastrointest Liver Physiol. 2009 Mar;296(3):G543-52. DOI:10.1152/ajpgi.90585.2008
[3] Hartman HB, et al. Activation of farnesoid X receptor prevents atherosclerotic lesion formation in LDLR-/- and apoE-/- mice. J Lipid Res. 2009 Jun;50(6):1090-100. DOI:10.1194/jlr.M800619-JLR200

3-(3,4-Difluorobenzoyl)-1,2,3,6-tetrahydro-1,1-dimethylazepino[4,5-b]indole-5-carboxylic acid 1-methylethyl ester Preparation Products And Raw materials

Raw materials

Preparation Products

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View Lastest Price from 3-(3,4-Difluorobenzoyl)-1,2,3,6-tetrahydro-1,1-dimethylazepino[4,5-b]indole-5-carboxylic acid 1-methylethyl ester manufacturers

Career Henan Chemical Co

Product: 3-(3,4-Difluorobenzoyl)-1,2,3,6-tetrahydro-1,1-dimethylazepino[4,5-b]indole-5-carboxylic acid 1-methylethyl ester 629664-81-9
Price: US $1.00/KG
Min. Order: 1KG
Purity: 97%-99.9%
Supply Ability: 100kg
Release date: 2019-12-26

629664-81-9, 3-(3,4-Difluorobenzoyl)-1,2,3,6-tetrahydro-1,1-dimethylazepino[4,5-b]indole-5-carboxylic acid 1-methylethyl esterRelated Search:

WAY 181187 MAY-262611 7-Bromo-2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol XL-652 pilaralisib XL-765,SAR245409 XL019 XL-019 XL147 2-fluoro-6-(trifluoroMethyl)benzene-1-sulfonyl chloride GW 3965 HYDROCHLORIDE T0901317

3-(3,4-Difluorobenzoyl)-1,2,3,6-tetrahydro-1,1-dimethylazepino[4,5-b]indole-5-carboxylic acid 1-methylethyl ester

Fxr 450

Turofexorate isopropyl

isopropyl 3-(3,4-difluorobenzoyl)-1,1-dimethyl-1,2,3,4,5,5a,6,10b-octahydroazepino[4,5-b]indole-5-carboxylate

XL335;TUROFEXORATE ISOPROPYL

CS-899

XL335; WAY 362450; TUROFEXORATE ISOPROPYL; WAY-362450

Turofexorate isopropyl [usan]

Unii-S6kdm312I5

Way 362450

isopropyl 3-(3,4-difluorobenzoyl)-1,1-dimethyl-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate

isopropyl 3-(3,4-difluorobenzoyl)-1,1-diMethyl-1,2,3,6-tetrahydr

WAY362450 - FXR450 - XL335

XL335

Isopropyl 3-(3,4-difluorobenzoyl)-1,1-dimethyl-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxyla

(E)-isopropyl 3-(3,4-difluorobenzoyl)-1,1-dimethyl-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate

Turofexorate Isopropyl (XL335)

propan-2-yl 3-(3,4-difluorobenzoyl)-1,1-dimethyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylate

WAY-362450 (XL335

Isopropyl 3-(3,4-difluorobenzoyl)-1,1-dimethyl-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carbox

Azepino[4,5-b]indole-5-carboxylic acid, 3-(3,4-difluorobenzoyl)-1,2,3,6-tetrahydro-1,1-dimethyl-, 1-methylethyl ester

WAY-362450 >=98% (HPLC)

Turofexorate isopropyl XL335 XL-335 WAY-362450 WAY362450

Turofexorate Isopropyl, 10 mM in DMSO

Turofexorate isopropyl (WAY-362450)

Turofexorate Isopropyl (XL335) ，S2694

629664-81-9

Inhibitors

A farnesoid X receptor (FXR) agonist .