neplanocin A

Suppliers

Names

[ Name ]:
neplanocin A

[Synonym ]:
Neoplanocin A
neplanocin A
(1S,2R,5R)-5-(6-Amino-9H-purin-9-yl)-3-(hydroxymethyl)-3-cyclopentene-1,2-diol
3-Cyclopentene-1,2-diol, 5-(6-amino-9H-purin-9-yl)-3-(hydroxymethyl)-, (1S,2R,5R)-

Chemical & Physical Properties

[ Density]:
1.9±0.1 g/cm3

[ Boiling Point ]:
632.6±65.0 °C at 760 mmHg

[ Molecular Formula ]:
C₁₁H₁₃N₅O₃

[ Molecular Weight ]:
263.253

[ Flash Point ]:
336.4±34.3 °C

[ Exact Mass ]:
263.101837

[ PSA ]:
130.31000

[ LogP ]:
-0.31

[ Vapour Pressure ]:
0.0±2.0 mmHg at 25°C

[ Index of Refraction ]:
1.882

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: GY5976500

CHEMICAL NAME :: 3-Cyclopentene-1,2-diol, 3-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)-, (1R,2S,3R,5R)-

CAS REGISTRY NUMBER :: 72877-50-0

LAST UPDATED :: 199312

DATA ITEMS CITED :: 6

MOLECULAR FORMULA :: C11-H13-N5-O3

MOLECULAR WEIGHT :: 263.29

WISWESSER LINE NOTATION :: T56 BN DN FN HNJ IZ D- CL5UTJ A1Q DQ EQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 13700 ug/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

MUTATION DATA

TYPE OF TEST :: Mutation test systems - not otherwise specified

TEST SYSTEM :: Rodent - rabbit Kidney

DOSE/DURATION :: 8400 ug/L

REFERENCE :: BCPCA6 Biochemical Pharmacology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.1- 1958- Volume(issue)/page/year: 38,1771,1989

Safety Information

[ HS Code ]:
2933990090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

(3'R,4'S,5'R)-3'-(6-aminopurin-9-yl)-1'-hydroxymethyl-4',5'-O-isopropylidene-cyclopent-1'-en-4',5'-diol
cis-4-(benzoyloxy)-2-cyclopentenyl benzoate
6-chloropurine
(1'R,4'S)-4'-benzoyloxy-1'-(6-chloro-9H-purin-9-yl)cyclopent-2'-ene
(3aS,6aR)-6-[(Benzyloxy)methyl]-2,2-dimethyl-4,6a-dihydro-3aH-cyc lopenta[d][1,3]dioxol-4-ol

DownStream

Customs

[ HS Code ]: 2933990090

[ Summary ]:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%