beloranib - Moligand™ , Methionine aminopeptidase 2 inhibitor, CAS No.251111-30-5, Methionine aminopeptidase 2 inhibitor

CAS: 251111-30-5 Cat. No.: B607980 Molecular Weight: 499.6 PubChem CID: 6918502

GRADE & PURITY Moligand™

Synonyms

[(3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] (E)-3-[4-(2-dimethylaminoethoxy)phenyl]prop-2-enoate | Beloranib [INN] | BELORANIB [WHO-DD] | 4-Bromoguaiacol, methyl ether | GTPL8445 | SCHEMBL1464

Storage

Room temperature

Specifications

Synonyms

[(3R, 4S, 5S, 6R)-5-methoxy-4-[(2R, 3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] (E)-3-[4-(2-dimethylaminoethoxy)phenyl]prop-2-enoate | Beloranib [INN] | BELORANIB [WHO-DD] | 4-Bromoguaiacol, methyl ether | GTPL8445 | SCHEMBL1464

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Methionine aminopeptidase 2 inhibitor

Product Properties

• ALogP: 4.4

Names and Identifiers

• Canonical Smiles: CC(=CCC1C(O1)(C)C2C(C(CCC23CO3)OC(=O)C=CC4=CC=C(C=C4)OCCN(C)C)OC)C
• IUPAC Name: [(3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] (E)-3-[4-[2-(dimethylamino)ethoxy]phenyl]prop-2-enoate
• InChIKey: ZEZFKUBILQRZCK-MJSCXXSSSA-N
• INCHI: 1S/C29H41NO6/c1-20(2)7-13-24-28(3,36-24)27-26(32-6)23(15-16-29(27)19-34-29)35-25(31)14-10-21-8-11-22(12-9-21)33-18-17-30(4)5/h7-12,14,23-24,26-27H,13,15-19H2,1-6H3/b14-10+/t23-,24-,26-,27-,28+,29+/m1/s1
• Isomeric SMILES: CC(=CC[C@@H]1[C@@](O1)(C)[C@H]2[C@@H]([C@@H](CC[C@]23CO3)OC(=O)/C=C/C4=CC=C(C=C4)OCCN(C)C)OC)C
• Alternate CAS: 251111-30-5,609845-93-4
• PubChem CID: 6918502
• MeSH Entry Terms: (3R,4S,5S,6R)-5-methoxy-4-((2R,3R)-2-methyl-3-(3-methyl-2-buten-1-yl)-2-oxiranyl)-1-oxaspiro(2.5)oct-6-yl (2E)-3-(4-(2-(dimethylamino)ethoxy)phenyl)acrylate;beloranib;CKD-732;CKD732;O-(4-dimethylaminoethoxycinnamoyl)fumagillol
• Molecular Weight: 499.6

Associated Targets(Human)

METAP2 Tchem Methionine aminopeptidase 2 (0 Activities)

Discover Target: METAP2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Chemical and Physical Properties

• Molecular Weight: 499.600 g/mol
• XLogP3: 4.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 12
• Exact Mass: 499.293 Da
• Monoisotopic Mass: 499.293 Da
• Topological Polar Surface Area: 73.100 Ų
• Heavy Atom Count: 36
• Formal Charge: 0
• Complexity: 815.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 6
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1