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Asciminib

Asciminib structure

CAS No:
1492952-76-7
Formula:
C20H18ClF2N5O3
Chemical Name:
Asciminib
Synonyms:
Asciminib (ABL-001);ABL-001 (ASCIMINIB);(R)-N- (4-(chlorodifluoromethoxy)phenyl)- 6-(3- hydroxypyrrolidin-1- yl)-5- (1H-pyrazol- 5-yl)nicotinamide;ABL-001;Asciminib;EOS-61420;L1F3R18W77;UNII-L1F3R18W77
Categories:
Organic Chemistry > Amides

Description

Asciminib (ABL001) is a potent and selective allosteric Bcr-Abl inhibitor; inhibits Ba/F3 cells grown with an IC50 of 0.25 nM.

ABL001 has been used in trials studying the health services research of Chronic Myelogenous Leukemia and Philadelphia Chromosome-positive Acute Lymphoblastic Leukemia.|Asciminib is an orally bioavailable, allosteric Bcr-Abl tyrosine kinase inhibitor with potential antineoplastic activity. Designed to overcome resistance, ABL001 binds to the Abl portion of the Bcr-Abl fusion protein at a location that is distinct from the ATP-binding domain. This binding results in the inhibition of Bcr-Abl-mediated proliferation and enhanced apoptosis of Philadelphia chromosome-positive (Ph+) hematological malignancies. The Bcr-Abl fusion protein tyrosine kinase is an abnormal enzyme produced by leukemia cells that contain the Philadelphia chromosome.

Asciminib Basic Attributes

Molecular Weight：

449.84

Exact Mass：

449.106628

UNII：

L1F3R18W77

NCI Thesaurus Code：

C114494

ATC Code：

L - Antineoplastic and immunomodulating agents

Characteristics

PSA：

103

Density：

1.5±0.1 g/cm3

Flash Point：

335.8±31.5 °C

Refractive Index：

1.662

Drug Information

Drug Indication：

Treatment of chronic myeloid leukaemia

MeSH Entry Terms：

ABL001

Asciminib Use and Manufacturing

Use Classification：

Human Drugs -> EU pediatric investigation plans|Human drugs -> Rare disease (orphan)

Computed Properties

Molecular Weight:449.8
XLogP3:3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:6
Exact Mass:449.1066235
Monoisotopic Mass:449.1066235
Topological Polar Surface Area:103
Heavy Atom Count:31
Complexity:626
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Asciminib

CAS No.: 1492952-76-7

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