CAS No.16980-89-5,Bucladesine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	16980-89-5
Name:	Bucladesine

Formula:	C₁₈H₂₄N₅NaO₈P
Molecular Weight:	492.37
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;
EINECS:	241-059-4
Solubility:	H₂O: 50 mg/mL
Appearance:	colorless or white crystalline powder
Safety:	24/25
PSA:	176.63000
LogP:	2.20120

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Specification

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)	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.