13117-60-7 , monobutyryl cyclic AMP, CAS:13117-60-7

13117-60-7 , monobutyryl cyclic AMP,
CAS:13117-60-7
C14H18N5O7P / 399.296

monobutyryl cyclic AMP, N6-单丁酰基腺苷-3,5-环单磷酸

N(6)-butyryl-cAMP is a 3',5'-cyclic purine nucleotide that is 3',5'-cyclic AMP in which the exocyclic amino group on the purine fragment is carrying a butyryl substituent. It has a role as a protein kinase agonist. It is a 3',5'-cyclic purine nucleotide, an adenyl ribonucleotide and a member of butanamides. It derives from a 3',5'-cyclic AMP.

CAS Number	13117-60-7
Product Name	Monobutyryl cyclic AMP
IUPAC Name	N-[9-[(4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]purin-6-yl]butanamide
Molecular Formula	C14H18N5O7P
Molecular Weight	399.296 g/mol
InChI	InChI=1S/C14H18N5O7P/c1-2-3-8(20)18-12-9-13(16-5-15-12)19(6-17-9)14-10(21)11-7(25-14)4-24-27(22,23)26-11/h5-7,10-11,14,21H,2-4H2,1H3,(H,22,23)(H,15,16,18,20)/t7-,10-,11-,14-/m1/s1
InChI Key	NVGDLMUKSMHEQT-FRJWGUMJSA-N
SMILES	CCCC(=O)NC1=C2C(=NC=N1)N(C=N2)C3C(C4C(O3)COP(=O)(O4)O)O
Synonyms	monobutyryl cyclic AMP, monobutyryl cyclic AMP, monosodium salt, N(6)-butyryl adenosine-3',5'-cyclic monophosphate, N(6)-butyryl cyclic AMP, N(6)-monobutyryl adenosine-3',5'-cyclic monophosphate, N(6)-monobutyryl cyclic AMP
Canonical SMILES	CCCC(=O)NC1=C2C(=NC=N1)N(C=N2)C3C(C4C(O3)COP(=O)(O4)O)O
Isomeric SMILES	CCCC(=O)NC1=C2C(=NC=N1)N(C=N2)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O4)O)O