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Brc1cnc(nc1)C
Pyrimidine, 5-bromo-2-methyl-
CCCP1(=O)OP(=O)(CCC)OP(=O)(O1)CCC
1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide
CC1(C)OB(OC1(C)C)B1OC(C(O1)(C)C)(C)C
2,2'-Bi-1,3,2-dioxaborolane, 4,4,4',4',5,5,5',5'-octamethyl-
O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd].[Pd]
Tris(dibenzylideneacetone)dipalladium
C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)c(c(c1)C)N1CCN(C1=[Ru](=Cc1ccccc1)(Cl)Cl)c1c(C)cc(cc1C)C
Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-, (SP-5-41)-

PF 477736

Cn1ncc(c1)c1[nH]c2c3c1cn[nH]c(=O)c3cc(c2)NC(=O)[C@@H](C1CCCCC1)N Request for Quotation
Chemical Name: PF 477736
CAS Number: 952021-60-2
Product Number: AG01DBNY(AGN-PC-0W4T1F)
Synonyms:
MDL No: MFCD16038847
Molecular Formula: C22H25N7O2
Molecular Weight: 419.4796

Identification/Properties

Computed Properties
Molecular Weight:
419.489g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
4
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
4
Exact Mass:
419.207g/mol
Monoisotopic Mass:
419.207g/mol
Topological Polar Surface Area:
130A^2
Heavy Atom Count:
31
Formal Charge:
0
Complexity:
725
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information

NMR Spectrum

Other Analytical Data

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Chemical Structure


The compound (αR)-α-Amino-N-[5,6-dihydro-2-(1-methyl-1H-pyrazol-4-yl)-6-oxo-1H-pyrrolo[4,3,2-ef][2,3]benzodiazepin-8-yl]cyclohexaneacetamide, hereinafter referred to as $name$, serves as a valuable building block in chemical synthesis. Its unique structural properties make it a versatile tool for the construction of complex molecules in the laboratory.One of the key applications of $name$ in chemical synthesis is its role as a chiral amino acid derivative. The presence of the α-amino group and the cyclohexane ring in its structure allows for selective interactions with other molecules, enabling precise control over the stereochemistry of the products formed during chemical reactions. This feature is particularly valuable in the synthesis of pharmaceutical compounds, where the correct stereochemistry can significantly impact biological activity and pharmacological properties.Additionally, the incorporation of the pyrrolo-benzodiazepine core in $name$ offers opportunities for the development of novel drug candidates and bioactive compounds. The fused heterocyclic structure of the molecule can participate in diverse chemical transformations, including functional group modifications and ring-closing reactions, leading to the creation of structurally complex and biologically relevant molecules.Overall, the strategic incorporation of (αR)-α-Amino-N-[5,6-dihydro-2-(1-methyl-1H-pyrazol-4-yl)-6-oxo-1H-pyrrolo[4,3,2-ef][2,3]benzodiazepin-8-yl]cyclohexaneacetamide, or $name$, in synthetic pathways enables chemists to access a wide range of chemical space and drive innovation in drug discovery and material science.