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| CAS No.: | 362-74-3 |
|---|---|
| Name: | N-(9-beta-D-Ribofuranosyl-9H-furin-6-yl)-butyramide cyclic 3',5'-(hydrogen phosphate) 2'-butyrate |
| Molecular Structure: | |
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| Formula: | C18H24N5O8P |
| Molecular Weight: | 469.391 |
| Synonyms: | 3',5'-Cyclic AMPdibutyrate;Cyclic AMPdibutyrate;Dibutyryl 3',5'-cyclic AMP;Dibutyryl 3',5'-cyclic adenosine monophosphate;Dibutyrylcyclic 3',5'-AMP;Dibutyryl cyclic adenosine 3',5'-monophosphate;Dibutyryl cyclic adenosinemonophosphate;Dibutyryladenosine 3',5'-cyclic monophosphate;Dibutyryladenosine 3',5'-cyclicphosphate;Dibutyryladenosine3',5'-monophosphate;Dibutyryladenosine cyclic 3',5'-monophosphate;N6,2'-Dibutyryladenosine cyclic3',5'-(hydrogen phosphate); |
| EINECS: | 206-649-8 |
| Density: | 1.72 g/cm3 |
| Melting Point: | 203 - 205 °C |
| PSA: | 173.80000 |
| LogP: | 1.76300 |
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Specification
The Bucladesine, with the CAS registry number 362-74-3, is also known as N-6,O-2'-Dibutyryl adenosine cyclic 3':5'-monophosphate. It belongs to the classification code of Mutation Data. Its EINECS registry number is 206-649-8. This chemical's molecular formula is C18H24N5O8P and molecular weight is 469.39. What's more, both its IUPAC name and systematic name are the same which is called (4aR,6R,7R,7aR)-6-[6-(Butanoylamino)-9H-purin-9-yl]-2-hydroxy-2-oxidotetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-yl butanoate. It is a cyclic nucleotide derivative which mimics the action of endogenous cAMP and is a phosphodiesterase inhibitor. The compound is used in a wide variety of research applications because it mimics cAMP and can induce normal physiological responses when added to cells in experimental conditions.
Physical properties about Bucladesine are: (1)#H bond acceptors: 13; (2)#H bond donors: 2; (3)#Freely Rotating Bonds: 7; (4)Polar Surface Area: 154.01 Å2; (5)Index of Refraction: 1.717; (6)Molar Refractivity: 106.92 cm3; (7)Molar Volume: 271.4 cm3; (8)Surface Tension: 75.3 dyne/cm; (9)Density: 1.72 g/cm3.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(Nc4ncnc1c4ncn1[C@@H]2O[C@@H]3COP(=O)(O[C@H]3[C@H]2OC(=O)CCC)O)CCC
(2) InChI: InChI=1S/C18H24N5O8P/c1-3-5-11(24)22-16-13-17(20-8-19-16)23(9-21-13)18-15(30-12(25)6-4-2)14-10(29-18)7-28-32(26,27)31-14/h8-10,14-15,18H,3-7H2,1-2H3,(H,26,27)(H,19,20,22,24)/t10-,14-,15-,18-/m1/s1
(3) InChIKey: CJGYSWNGNKCJSB-YVLZZHOMSA-N