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BEBT-908 (CUDC-908) , CAS No.1235449-52-1

COA

Cas Number: 1235449-52-1
Molecular Weight: 507.6
PubChem CID: 59474330

In stock

Item Number

B412417

Grouped product items
SKU	Size	Availability	Price	Qty
B412417-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$315.90
B412417-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,422.90

View related series

PI3K (243) PI3K/Akt/mTOR (765)

Basic Description

Synonyms	5-Pyrimidinecarboxamide, N-hydroxy-2-(methyl((2-(6-(methylamino)-3-pyridinyl)-4-(4-morpholinyl)thieno(3,2-d)pyrimidin-6-yl)methyl)amino)- \| A906906 \| N-hydroxy-2-[methyl-[[2-[6-(methylamino)pyridin-3-yl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]
Biochemical and Physiological Mechanisms	BEBT-908 (CUDC-908, PI3Kα inhibitor 1, MDK9521, PI3Kα-IN-243) is a potent selective\xa0inhibitor of\xa0PI3Kα with IC50 < 0.1 μM. BEBT-908 also inhibits HDAC with IC50 ≤ 1 μM.
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	Information BEBT-908 (CUDC-908, PI3Kα inhibitor 1, MDK9521, PI3Kα-IN-243) is a potent selective inhibitor of PI3Kα with IC50 < 0.1 μM. BEBT-908 also inhibits HDAC with IC50 ≤ 1 μM.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Diazines
    - Subclass Pyrimidines and pyrimidine derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Diazines
Subclass	Pyrimidines and pyrimidine derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Pyridinylpyrimidines
Alternative Parents	Thienopyrimidines Pyrimidinecarboxamides 2,3,5-trisubstituted thiophenes Dialkylarylamines Secondary alkylarylamines Aminopyrimidines and derivatives Aminopyridines and derivatives Morpholines Imidolactams Heteroaromatic compounds Hydroxamic acids Amino acids and derivatives Oxacyclic compounds Dialkyl ethers Azacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Pyridinylpyrimidine - Pyrimidinecarboxamide - Pyrimidine-5-carboxylic acid or derivatives - Thienopyrimidine - 2,3,5-trisubstituted thiophene - Dialkylarylamine - Aminopyridine - Aminopyrimidine - Secondary aliphatic/aromatic amine - Imidolactam - Morpholine - Oxazinane - Pyridine - Heteroaromatic compound - Thiophene - Amino acid or derivatives - Hydroxamic acid - Tertiary amine - Secondary amine - Azacycle - Oxacycle - Ether - Dialkyl ether - Carboxylic acid derivative - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Amine - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as pyridinylpyrimidines. These are compounds containing a pyridinylpyrimidine skeleton, which consists of a pyridine linked (not fused) to a pyrimidine by a bond.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	N-hydroxy-2-[methyl-[[2-[6-(methylamino)pyridin-3-yl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]amino]pyrimidine-5-carboxamide
INCHI	InChI=1S/C23H25N9O3S/c1-24-18-4-3-14(10-25-18)20-28-17-9-16(36-19(17)21(29-20)32-5-7-35-8-6-32)13-31(2)23-26-11-15(12-27-23)22(33)30-34/h3-4,9-12,34H,5-8,13H2,1-2H3,(H,24,25)(H,30,33)
InChIKey	TWJZFXHSPBBPNI-UHFFFAOYSA-N
Smiles	CNC1=NC=C(C=C1)C2=NC3=C(C(=N2)N4CCOCC4)SC(=C3)CN(C)C5=NC=C(C=N5)C(=O)NO
Isomeric SMILES	CNC1=NC=C(C=C1)C2=NC3=C(C(=N2)N4CCOCC4)SC(=C3)CN(C)C5=NC=C(C=N5)C(=O)NO
Molecular Weight	507.6
Reaxy-Rn	21896846
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=21896846&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	507.600 g/mol
XLogP3	1.400
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	7
Exact Mass	507.18 Da
Monoisotopic Mass	507.18 Da
Topological Polar Surface Area	170.000 Å²
Heavy Atom Count	36
Formal Charge	0
Complexity	725.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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