Bleximenib
Also known as Menin-MLL inhibitor 24, (R)-N-Ethyl-5-fluoro-N-isopropyl-2-[[5-[2-[6-[(2-methoxyethyl)(methyl)amino]-2-methylhexan-3-yl]-2,6-diazaspiro[3.4]octan-6-yl]-1,2,4-triazin-6-yl]oxy]benzamide, Bleximenib (USAN/INN)
Key facts
What buyers check first
- CAS number
- 2654081-35-1
- Formula
- C32H50FN7O3
- Molar mass
- 599.80 g/mol
- HS code
- 293369
- Category
- Screening compounds
What is Bleximenib?
Plain description, key identifiers and synonyms
Bleximenib is an orally bioavailable protein-protein interaction (PPI) inhibitor of the menin-mixed lineage leukemia (MLL, mixed-lineage leukemia 1, MLL1, myeloid/lymphoid leukemia, histone-lysine N-methyltransferase 2A, KMT2A) proteins, with potential antineoplastic activity. Upon oral administration, bleximenib inhibits the interaction between the two proteins menin and MLL and the formation of the menin-MLL complex. This reduces the expression of downstream target genes and results in an inhibition of the proliferation of leukemic cells with either KMT2A alterations such as gene rearrangements (KMT2A-r), duplications, and amplification, or nucleophosmin 1 gene (NPM1) alterations. The menin-MLL complex plays a key role in the survival, growth, transformation and proliferation of certain kinds of leukemia cells.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- N-ethyl-5-fluoro-2-[[5-[2-[(3R)-6-[2-methoxyethyl(methyl)amino]-2-methylhexan-3-yl]-2,7-diazaspiro[3.4]octan-7-yl]-1,2,4-triazin-6-yl]oxy]-N-propan-2-ylbenzamide
- CAS number
- 2654081-35-1
- Molecular formula
- C32H50FN7O3
- UNII
- DCN5WEN78T
- MDL number
- MFCD35065359
- InChIKey
- PDUGAXSIWNMIBQ-HHHXNRCGSA-N
- InChI
- InChI=1S/C32H50FN7O3/c1-8-40(24(4)5)31(41)26-18-25(33)11-12-28(26)43-30-29(34-22-35-36-30)38-15-13-32(19-38)20-39(21-32)27(23(2)3)10-9-14-37(6)16-17-42-7/h11-12,18,22-24,27H,8-10,13-17,19-21H2,1-7H3/t27-/m1/s1
- Canonical SMILES
- CCN(C(=O)c1cc(F)ccc1Oc1nncnc1N1CCC2(C1)CN(C(CCCN(C)CCOC)C(C)C)C2)C(C)C
- Isomeric SMILES
- CCN(C(C)C)C(=O)C1=C(C=CC(=C1)F)OC2=C(N=CN=N2)N3CCC4(C3)CN(C4)[C@H](CCCN(C)CCOC)C(C)C
Synonyms
- Menin-MLL inhibitor 24
- (R)-N-Ethyl-5-fluoro-N-isopropyl-2-[[5-[2-[6-[(2-methoxyethyl)(methyl)amino]-2-methylhexan-3-yl]-2,6-diazaspiro[3.4]octan-6-yl]-1,2,4-triazin-6-yl]oxy]benzamide
- Bleximenib (USAN/INN)
- JNJ6617 HCl
- JNJ-6617 HCl
- Compound A
- US20240261292, Compound A1
- US20240261292, Compound A3
- (R)-N-Ethyl-5-fluoro-N-isopropyl-2-[[5-[2-[6-[(2-methoxyethyl)(methyl)amino]-2-methyl-3-hexyl]-2,6-diazaspiro[3.4]octan-6-yl]-1,2,4-triazin-6-yl]oxy]benzamide
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 | 599.80 g/molcalc.Computed value |
|---|---|
| Exact mass | 599.3959 Dacalc.Computed value |
| LogP (octanol/water) | 4.57calc.Computed value |
| Topological polar surface area | 87.16 ร
ยฒcalc.Computed value |
| Hydrogen bond donors | 0calc.Computed value |
| Hydrogen bond acceptors | 9calc.Computed value |
| Rotatable bonds | 15calc.Computed value |
| Heavy atoms | 43calc.Computed value |
| Rings | 4calc.Computed value |
| Aromatic rings | 2calc.Computed value |
| Fraction sp3 carbons | 0.69calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 1calc.Computed value |
| Lipinski rule of five | Passes (1 violation)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.
Bleximenib suppliers
Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings
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Bleximenib price
Indicative price range per kg from live supplier offers
Suppliers quote this chemical on request. Send one free request and compare quotes side by side.
Uses and applications
What the substance is used for, by industry and function
Industries and functions
Regulatory status
Inventories, regulations and trade controls that list this substance
No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.
HS code and trade data
Customs classification and reported world trade statistics
Global trade
World import and export statistics for the HS code Bleximenib is traded under.
Compounds containing an unfused triazine ring (whether or not hydrogenated) in theโฆ
- United States13.5%
- Brazil9.6%
- Germany9.5%
* Partner reported figures, a lower bound.
The HS code shown for Bleximenib is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Frequently asked questions
Quick answers about Bleximenib, based on the data on this page
What is Bleximenib?
What is the CAS number of Bleximenib?
What is the molecular formula and weight of Bleximenib?
What is Bleximenib used for?
Is Bleximenib hazardous?
What is the HS code of Bleximenib?
Where can I buy Bleximenib?
What is the price of Bleximenib?
Guides for buyers
Practical guides that help when you source, ship or handle Bleximenib
- Guide, Chemical identityCAS registry numbers explainedWhat a CAS number identifies, how the check digit works, why one chemical can have several numbers and what a CAS number cannot tell you about a product.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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