Asciminib
Also known as N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide, 3-Pyridinecarboxamide, N-[4-(chlorodifluoromethoxy)phenyl]-6-[(3R)-3-hydroxy-1-pyrrolidinyl]-5-(1H-pyrazol-3-yl)-, 3-Pyridinecarboxamide, N-(4-(chlorodifluoromethoxy)phenyl)-6-((3R)-3-hydroxy-1-pyrrolidinyl)-5-(1H-pyrazol-3-yl)-
Key facts
What buyers check first
- CAS number
- 1492952-76-7
- Formula
- C20H18ClF2N5O3
- Molar mass
- 449.85 g/mol
- EC number
- 841-613-0
- HS code
- 293339
- Category
- Oncology and immunology drugs
What is Asciminib?
Plain description, key identifiers and synonyms
Asciminib is an orally bioavailable, allosteric Bcr-Abl1 tyrosine kinase inhibitor, with antineoplastic activity. Upon administration, asciminib targets and binds to the myristoyl pocket of the Bcr-Abl1 fusion protein at a location that is distinct from the ATP-binding domain, thereby inhibiting the activity of both wild-type Bcr-Abl and certain mutation forms, including the T315I mutation. This binding results in the inhibition of Bcr-Abl1-mediated proliferation and enhanced apoptosis of Philadelphia chromosome-positive (Ph+) hematological malignancies. The Bcr-Abl1 fusion protein tyrosine kinase is an abnormal enzyme produced by leukemia cells that contain the Philadelphia chromosome.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide
- CAS number
- 1492952-76-7
- EC number
- 841-613-0
- Molecular formula
- C20H18ClF2N5O3
- UNII
- L1F3R18W77
- InChIKey
- VOVZXURTCKPRDQ-CQSZACIVSA-N
- InChI
- InChI=1S/C20H18ClF2N5O3/c21-20(22,23)31-15-3-1-13(2-4-15)26-19(30)12-9-16(17-5-7-25-27-17)18(24-10-12)28-8-6-14(29)11-28/h1-5,7,9-10,14,29H,6,8,11H2,(H,25,27)(H,26,30)/t14-/m1/s1
- Canonical SMILES
- O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CCC(O)C2)c(-c2ccn[nH]2)c1
- Isomeric SMILES
- C1CN(C[C@@H]1O)C2=C(C=C(C=N2)C(=O)NC3=CC=C(C=C3)OC(F)(F)Cl)C4=CC=NN4
Synonyms
- N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide
- 3-Pyridinecarboxamide, N-[4-(chlorodifluoromethoxy)phenyl]-6-[(3R)-3-hydroxy-1-pyrrolidinyl]-5-(1H-pyrazol-3-yl)-
- 3-Pyridinecarboxamide, N-(4-(chlorodifluoromethoxy)phenyl)-6-((3R)-3-hydroxy-1-pyrrolidinyl)-5-(1H-pyrazol-3-yl)-
- asciminibum
- N-(4-(chloro(difluoro)methoxy)phenyl)-6-((3R)-3-hydroxypyrrolidin-1-yl)-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide
- N-(4-(chlorodifluoromethoxy)phenyl)-6-((3R)-3-hydroxypyrrolidin-1-yl)-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide
- Asciminib free base
- Asciminib (ABL001)
- (R)-N-(4-(Chlorodifluoromethoxy)phenyl)-6-(3-hydroxypyrrolidin-1-yl)-5-(1H-pyrazol-5-yl)nicotinamide
- Example 9
- (R)-N-(4-(Chlorodifluoromethoxy)phenyl)-6-(3-hydroxypyrrolidin-1-yl)-5-(1H-pyrazol-3-yl)nicotinamide
- N-[4-(chlorodifluoromethoxy)phenyl]-6-[(3r)-3-hydroxypyrrolidin-1-yl]-5-(1h-pyrazol-3-yl)pyridine-3-carboxamide
- C20H18ClF2N5O3
- Asciminib?
- Asciminib (Standard)
- 1492952-76-7 (free base)
- Asciminib (USAN/INN)
- Abl-0013-pyridinecarboxamide
- compound 1
- (R)-N-(4-(Chloro difluoromethoxy)phenyl)-6-(3-hydroxypyrrolidin-1-yl)-5-(1H-pyrazol-5-yl)nicotinamide
- (R)-N-[4-(Chlorodifluoromethoxy)phenyl]-6-(3-hydroxy-1-pyrrolidinyl)-5-(3-pyrazolyl)nicotinamide
- N-(4-(Chlorodifluoromethoxy)phenyl)-6-((3R)-3- hydroxypyrrolidin-1-yl)-5-(1H-pyrazol-3-yl)pyridine- 3-carboxamide
- N-[4-(Chlorodifluoromethoxy)phenyl]-6-[(3R)-3-hydroxy-1-pyrrolidinyl]-5-(1H-pyrazol-3-yl)-
Physical and chemical properties
Measured values and descriptors computed from the structure
Physical and chemical properties
Measured values, check the supplier specification for your grade
No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.
Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.
Computed descriptors
Calculated from the structure, useful for screening and formulation
| Molecular weight | 449.85 g/molcalc.Computed value |
|---|---|
| Exact mass | 449.1066 Dacalc.Computed value |
| LogP (octanol/water) | 3.46calc.Computed value |
| Topological polar surface area | 103.4 ร
ยฒcalc.Computed value |
| Hydrogen bond donors | 3calc.Computed value |
| Hydrogen bond acceptors | 6calc.Computed value |
| Rotatable bonds | 6calc.Computed value |
| Heavy atoms | 31calc.Computed value |
| Rings | 4calc.Computed value |
| Aromatic rings | 3calc.Computed value |
| Fraction sp3 carbons | 0.25calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 1calc.Computed value |
| Lipinski rule of five | Passes (0 violations)calc.Computed value |
Calculated for screening. Confirm critical figures with the supplier.
Murcko scaffold
The ring system that remains when every side chain is removed
Safety and hazards
GHS classification summary, not a safety data sheet
No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.
GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.
Asciminib suppliers
Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings
- China, NanjingUnclaimed profileAsciminibGrade, purity and minimum order on requestPrice on request
- United States, San DiegoUnclaimed profileAsciminibGrade, purity and minimum order on requestPrice on request
- United States, HaywardUnclaimed profileAsciminibGrade, purity and minimum order on requestPrice on request
- China, ShanghaiUnclaimed profileAsciminibGrade, purity and minimum order on requestPrice on request
- United States, Buffalo GroveUnclaimed profileAsciminibGrade, purity and minimum order on requestPrice on request
- United States, RestonUnclaimed profileAsciminibGrade, purity and minimum order on requestPrice on request
- China, Cangzhou ManufacturerUnclaimed profileAsciminibGrade, purity and minimum order on requestPrice on request
- United States, BurlingameUnclaimed profileAsciminibGrade, purity and minimum order on requestPrice on request
- Price on request
- Price on request
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Where suppliers are based
16 suppliers in 4 countries
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Asciminib price
Indicative price range per kg from live supplier offers
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Uses and applications
What the substance is used for, by industry and function
Industries and functions
Pharmacological actions
- Tyrosine Kinase Inhibitors
Roles
- antineoplastic agent
- pharmaceutical
- protective agent
- renoprotective agent
Pharmacology
Asciminib is a tyrosine kinase inhibitor that specifically targets myristoyl pocket of ABL1 and is used to treat refractory forms of Philadelphia chromosome positive chronic myelocytic leukemia. Serum aminotransferase elevations occur in a proportion of patients treated with asciminib, but episodes of clinically apparent liver injury with jaundice have not been reported with its use.
Regulatory status
Inventories, regulations and trade controls that list this substance
Health and food
- Active ingredient in FDA approved drug labels
HS code and trade data
Customs classification and reported world trade statistics
Global trade
World import and export statistics for the HS code Asciminib is traded under.
Heterocyclic compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structureโฆ
- Germany14.2%
- United States12.8%
- Brazil10.1%
* Partner reported figures, a lower bound.
The HS code shown for Asciminib is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Frequently asked questions
Quick answers about Asciminib, based on the data on this page
What is Asciminib?
What is the CAS number of Asciminib?
What is the molecular formula and weight of Asciminib?
What is Asciminib used for?
Is Asciminib hazardous?
What is the HS code of Asciminib?
Where can I buy Asciminib?
What is the price of Asciminib?
Guides for buyers
Practical guides that help when you source, ship or handle Asciminib
- Article, QualityPharma grades explained: IP vs BP vs USP vs EPWhat the Indian, British, US and European pharmacopoeias are, how their monographs differ, what multi grade claims mean and why a grade alone does not make a product fit for medicines.Read
- Article, SourcingHow to write an RFQ that gets fast and accurate quotesWhat suppliers need to quote quickly and comparably: exact product identity, quantity and packing, delivery terms, documents, samples and payment, with a ready to use template.Read
- Guide, Trade and logisticsHS codes for chemicals and why they matterHow the Harmonized System classifies chemicals, the chapters that matter, the rules for chemically defined compounds and mixtures, and practical steps to find the right code.Read
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