neplanocin A

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Names

[ CAS No. ]:
72877-50-0

[ 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

  • choline
  • (2S)-3-(((((3R,4S,5R)-3-(6-amino-9H-purin-9-yl)-4,5-dihydroxycyclopent-1-en-1-yl)methoxy)(hydroxy)phosphoryl)oxy)propane-1,2-diyl distearate
  • (1S,2R,5R)-5-(6-aminopurin-9-yl)-3-[(1S)-1-hydroxyethyl]cyclopent-3-ene-1,2-diol

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%

Related Compounds

  • (-)-neplanocin A
  • N6-benzoylneplanocin A
  • Camellianin A
  • lactococcin A
  • maquiroside A
  • actinoplanone A
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • methyl 5-(3-methylcyclohexyl)-1H-1,2,3-triazole-4-carboxylate
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine
  • 4-amino-N-[2-tert-butyl-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]-N-ethylbenzenesulfonamide