 Home > Encyclopedia > Verdinexor (KPT-335)

Verdinexor (KPT-335)

Verdinexor (KPT-335) structure

CAS No:
1392136-43-4
Formula:
C18H12F6N6O
Chemical Name:
Verdinexor (KPT-335)
Synonyms:
Z)-3-(3-(3,5-bis(trifluoroMethyl)phenyl)-1H-1,2,4-triazol-1-yl)-N'-(pyridin-;KPT-335;Verdinexor;Verdinexor(KPT-335);(2Z)-3-[3-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl]- 2-propenoic acid-2-(2-pyridinyl)hydrazide;(2Z)-3-(3-(3,5-Bis(trifluoromethyl)phenyl)-1H-1,2,4-triazol-1-yl)-N -(pyridin-2-yl)prop-2-enehydrazide Verdinexor(KPT-335);(KPT335)(Z)-3-(3-(3,5-bis(trifluoromethyl)phenyl)-1H-1,2,4-triazol-1-yl)-N'-(pyridin-2-yl)acrylohydrazide
Categories:
Biochemical Engineering > Inhibitors

Description

Kpt 335 is under investigation in clinical trial NCT02431364 (Trial of Safety and Tolerability of Oral Verdinexor (Verdinexor) in Healthy Adults).

Verdinexor (KPT-335) Basic Attributes

Molecular Weight：

442.325

Exact Mass：

442.098

EC Number：

-0

UNII：

85Q03215IW

Characteristics

PSA：

84.7

XLogP3：

4.1

Density：

1.49±0.1 g/cm3(Predicted)

Drug Information

MeSH Entry Terms：

KPT-335

Verdinexor (KPT-335) Use and Manufacturing

Methods of Manufacturing

Synthesis of (Z)-3-(3-(3, 5-bis(trifluoromethyl)phenyl)-lH-l, 2, 4- -yl)-N'-(pyridin-2-yl)acrylohydrazide hydrochloride (1-4).A 500-mL, 3 -necked, round-bottomed flask was charged with a suspension of (Z)-3- (3-(3, 5-bis(trifluoromethyl)phenyl)-lH-l , 2, 4-triazol-l-yl)acrylic acid (10 g, 1.0 eq.) in 1 : 1 CH2C12:AcOEt (200 mL). 2-Hydrazinopyridine (3.1 1 g) was added at -40°C. T3P (50percent in ethylacetate) (21.75 g) was added dropwise followed by DIPEA (7.36 g) and the reaction mixture was stirred for 30 min at -40 °C before being concentrated under reduced pressure (35 °C, 20 mm Hg) to afford a crude brown oil that was purified by column chromatography (the compound eluted with 1.3percent MeOH in CH

Use Classification：

Animal Drugs -> FDA Approved Animal Drug Products (Green Book) -> Active Ingredients

Computed Properties

Molecular Weight:442.3
XLogP3:4.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:5
Exact Mass:442.09767800
Monoisotopic Mass:442.09767800
Topological Polar Surface Area:84.7
Heavy Atom Count:31
Complexity:620
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes