Basic Information | Post buying leads | Suppliers |
Name |
Bucladesine sodium salt |
EINECS | 241-059-4 |
CAS No. | 16980-89-5 | Density | N/A |
PSA | 176.63000 | LogP | 2.20120 |
Solubility | H2O: 50 mg/mL | Melting Point |
N/A |
Formula | C18H24N5NaO8P | Boiling Point | N/A |
Molecular Weight | 492.37 | Flash Point | N/A |
Transport Information | N/A | Appearance | colorless or white crystalline powder |
Safety | 24/25 | Risk Codes | N/A |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Adenosine,N-(1-oxobutyl)-, cyclic 3',5'-(hydrogen phosphate) 2'-butanoate, monosodiumsalt (9CI);Butyramide, N-(9-b-D-ribofuranosyl-9H-purin-6-yl)-, cyclic hydrogen phosphate butyrate(ester), monosodium salt (8CI);Bucladesine sodium;DC 2797;Dibutyryl3',5'-cyclic AMP sodium salt;Dibutyryl cyclic AMP monosodium salt;Dibutyrylcyclic AMP sodium;Dibutyryl-cAMP sodiumsalt;Monosodium dibutyryl cyclic AMP;N-6,O-2'-Dibutyryladenosine cyclic 3',5'-monophosphatesodium salt;N6,2'-O-Dibutyryl-3',5'-cyclic AMP sodium salt;N6,2'-O-Dibutyryladenosine-3',5'-monophosphate monosodium salt;N6,O2'-Dibutyryl-3',5'-cyclic AMP sodium salt;SodiumN6,2'-O-dibutyryladenosine 3',5'-cyclic phosphate;Sodium dibutyryl cAMP; |
The IUPAC name of Adenosine,N-(1-oxobutyl)-, cyclic 3',5'-(hydrogen phosphate) 2'-butanoate, sodium salt(1:1) is sodium [(4aR,6R,7R,7aR)-6-[6-(butanoylamino)purin-9-yl]-2-oxido-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-yl] butanoate. With the CAS registry number 16980-89-5 and EINECS 241-059-4, it is also named as Bucladesine sodium salt. The product's category is Cyclic Nucleotide Related. It is colorless or white crystalline powder which should be stored at the temperature of -20 °C.
The other characteristics of this product can be summarized as: (1)#H bond acceptors: 13; (2)#H bond donors: 2; (3)#Freely Rotating Bonds: 7; (4)Polar Surface Area: 165.01 ?2; (5)Rotatable Bond Count: 8; (6)Tautomer Count: 4; (7)Exact Mass: 491.118194; (8)MonoIsotopic Mass: 491.118194; (9)Topological Polar Surface Area: 167; (10)Heavy Atom Count: 33; (11)Formal Charge: 0; (12)Complexity: 765; (13)Isotope Atom Count: 0; (14)Defined Atom StereoCenter Count: 4; (15)Covalently-Bonded Unit Count: 2.
Uses of Adenosine,N-(1-oxobutyl)-, cyclic 3',5'-(hydrogen phosphate) 2'-butanoate, sodium salt(1:1): It is a cyclic nucleotide derivative that mimics the action of endogenous Cyclic AMP and is capable of permeating the cell membrane. It has vasodilator properties and is used as a cardiac stimulant.
People can use the following data to convert to the molecule structure.
1. Smiles:[C@@H]1([C@@H]([C@H]2[C@H](O1)COP(=O)(O2)[O-])OC(=O)CCC)n1c2c(nc1)c(ncn2)NC(=O)CCC.[Na+]
2. InChI:InChI=1S/C18H24N5O8P.Na/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);/q;+1/p-1/t10-,14-,15-,18-;/m1./s1
The following are the toxicity data which has been tested.
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 1024mg/kg (1024mg/kg) | Yakkyoku. Pharmacy. Vol. 36, Pg. 357, 1985. | |
mouse | LD50 | intravenous | 543mg/kg (543mg/kg) | Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 15, Pg. 1140, 1984. | |
mouse | LD50 | oral | > 5gm/kg (5000mg/kg) | Yakkyoku. Pharmacy. Vol. 36, Pg. 357, 1985. | |
mouse | LD50 | subcutaneous | 678mg/kg (678mg/kg) | Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 15, Pg. 1140, 1984. | |
rat | LD50 | intraperitoneal | 515mg/kg (515mg/kg) | Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 15, Pg. 1140, 1984. | |
rat | LD50 | intravenous | 448mg/kg (448mg/kg) | Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 15, Pg. 1140, 1984. | |
rat | LD50 | oral | > 5gm/kg (5000mg/kg) | Yakkyoku. Pharmacy. Vol. 36, Pg. 357, 1985. | |
rat | LD50 | skin | > 2gm/kg (2000mg/kg) | Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 18, Pg. 2543, 1990. | |
rat | LD50 | subcutaneous | 487mg/kg (487mg/kg) | Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 15, Pg. 1140, 1984. |