Basic information
- CAS
101155-02-6- Standard SMILES
CNc1ncnc2c1ncn2Cc1ccccc1F- InChIKey
MZABAGHILOTTOD-UHFFFAOYSA-N- Molecular formula
- C13H12FN5
- Average molar mass
- 257.27 g/mol
- Monoisotopic mass
- 257.10767357
Overview
RN from first source; structure in first source
Names & identifiers
- Preferred name
- 9-(2-fluorobenzyl)-6-(methylamino)-9H-purine
- IUPAC
- 9-[(2-fluorophenyl)methyl]-N-methylpurin-6-amine
- English name
- 9-(2-fluorobenzyl)-6-(methylamino)-9H-purine
- Molecular formula
- C13H12FN5
- Molecular weight
- 257.27
Names & synonyms
101155-02-69-(2-fluorobenzyl)-6-(methylamino)-9H-purineBW A78UDX8S5Q0N0SDTXSID50143759BW-A-78URefChem:914697DTXCID4066250BW-A 78UBW-A78U9-[(2-fluorophenyl)methyl]-N-methylpurin-6-amine9-(2-Fluorobenzyl)-N-methyl-9H-purin-6-amine
Show more names
BW-A 78U, 10 mM in DMSOBWA 78Uinhibit,Inhibitor,BW A 78U,BW-A 78U,Phosphodiesterase (PDE),BWA 78U
BW-A 78U?9-((2-Fluorophenyl)methyl)-N-methyl-9H-purin-6-amine9H-Purin-6-amine, 9-[(2-fluorophenyl)methyl]-N-methyl-9-[(2-Fluorophenyl)methyl]-N-methyl-9H-purin-6-amine9H-Purin-6-amine, 9-((2-fluorophenyl)methyl)-N-methyl-CHEMBL445098BRN 4517870UNII-DX8S5Q0N0S
Database identifiers
- CAS
101155-02-6- PubChem CID
- 127779
- DTXSID
DTXSID50143759- ChEMBL
CHEMBL445098、CHEMBL7359- UNII
- DX8S5Q0N0S
- Nikkaji
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 55.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 303
Experimental & physicochemical properties
LogP1.86
Physicochemical properties
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 150 mg/mL · DMSO : 150 mg/mL (583.05 mM)
- form
- Solid
- color
- White to off-white
- FDA UNII
- 8 S5Q0N0S · DX8S5Q0N0S
Chemistry & industry
Applications
UsesBW-A 78U, is a potent and selective cAMP phosphodiesterase (PDE4) inhibitor with μM range IC50 value.
Suppliers32 total
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
咸宁深蓝生物医药研发有限公司18171815831 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
欧利希（湖北）医药科技有限公司17316404525 17316404525 · [email protected]
United Life Science020-82099279 18988968278 · [email protected]
InvivoChem中国13549236410 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
上海瀚香生物科技有限公司177-54423994 17754423994 · [email protected]
湖北魏氏化学试剂股份有限公司17771898297 13125137661 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海楼岚生物科技有限公司021-52996696，15000506266 15000506266
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…