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Basic information
- CAS
6742-12-7- Standard SMILES
Nc1ncnc2c([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)[nH]nc12- InChIKey
KBHMEHLJSZMEMI-KSYZLYKTSA-N- Molecular formula
- C10H13N5O4
- Average molar mass
- 267.24 g/mol
- Monoisotopic mass
- 267.09675391
Names & identifiers
- Preferred name
- Formycin
- IUPAC
- (2S,3R,4S,5R)-2-(7-amino-2H-pyrazolo[4,3-d]pyrimidin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol
- English name
- 7-Amino-3-beta-D-ribofuranosyl-1H-pyrazolo[4,3-d]pyrimidine monohydrate
- Molecular formula
- C10H13N5O4
- Molecular weight
- 267.25
Names & synonyms
formycin AFormycin6742-12-7(1S)-1-(7-amino-1H-pyrazolo[4,3-d]pyrimidin-3-yl)-1,4-anhydro-D-ribitolDTXSID20863937(2S,3R,4S,5R)-2-(7-amino-2H-pyrazolo[4,3-d]pyrimidin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diolCHEBI:42452(1S)-1-(7-amino-1H-pyrazolo(4,3-d)pyrimidin-3-yl)-1,4-anhydro-D-ribitol(2S,3R,4S,5R)-2-(7-amino-2H-pyrazolo(4,3-d)pyrimidin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diolRefChem:141297CHEBI:24088DTXCID001511137
Show more names
FORMYCIN MONOHYDRATEFORMYCIN A MONOHYDRATE8-AZA-9-DEAZAADENOSINE MONOHYDRATE3-β-D-Ribofuranosyl-1H-pyrazolo[4,3-d]pyrimidine-7-amine3-(β-D-Ribofuranosyl)-1H-pyrazolo[4,3-d]pyrimidin-7-amine3-d)pyrimidine,7-amino-3-beta-d-ribofuranosyl-1h-pyrazolo(
7-AMINO-3-beta-D-RIBOFURANOSYL-1H-PYRAZOLO[4,3-D]PYRIMIDINE MONOHYDRATEFMCNSC 1028112qtt1nc38-Aza-9-deazaadenosineSCHEMBL980049CHEMBL471524
Properties
Computed structural propertiesFilling in
- XLogP
- -2.2
- Topological polar surface area
- 150 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 335
Physicochemical properties
- Melting point
- 141 · 141-144 °C (decomp)
- Boiling point
- 709.5 · 709.5±60.0 °C(Predicted)
- Density
- 1.771 · 1.771±0.06 g/cm3(Predicted)
- storage temp.
- 20 °C · −20°C
- solubility
- 1 mg/mL · DMSO: soluble1mg/mL
- form
- powder
- pka
- 8.37 · 8.37±0.50(Predicted)
- color
- white to off-white
- BRN
- 624229 · 624229
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
- Safety Statements
- 22 · 22-24/25
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- 3
- rtecs
- UR0719000
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 22-24/25
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationSubstances that inhibit or prevent the proliferation of NEOPLASMS.
Applications
DescriptionFormycin (Formycin A) is isolated from Nocardia interforma and from Streptomyces lavendulae , . The antibiotic is effective against Xanthomonas oryzae and Pellicularia filamentosa. Its activity against Yoshida rat sarcoma cell is enhanced by coformycin. Formycin B inhibits Xanthomonas oryzae and interferes with multiplication of influenza A virus in the cells of chick chorioallantoic membrane . Oxoformycin B shows no activity against Xanthomonas oryzae .
UsesFormycin A (NSC 102811), a purine nucleoside antibiotic, is a potent human immunodeficiency virus type 1 (HIV-1) inhibitor with an EC50 of 10 μM. Formycin A shows antitumor and antiviral activities[1][2].
Suppliers10 total
Aladdin Scientific[email protected]
湖北魏氏化学试剂股份有限公司027-59102966 18717199209 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
上海梅凯科技有限公司021-68689288 15300790979 · [email protected]
杭州六可生物科技有限公司+86-571-86912261 19975279805 · [email protected]
BOC Sciences16314854226 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
Related reactions
2 records
Compound notes
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