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BW-A78U - 10mM in DMSO, high purity , CAS No.101155-02-6

COA

Grade & Purity:

10mM in DMSO

Cas Number: 101155-02-6
Molecular Weight: 257.27
PubChem CID: 127779

In stock

Item Number

B420310

Grouped product items
SKU	Size	Availability	Price	Qty
B420310-1ml	1ml	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$137.90

PDE Inhibitors

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Compound libraries (12325) Nucleic Acid Metabolism (395)

Basic Description

Synonyms	101155-02-6 \| BW-A 78U \| BW-A78U \| 9-(2-fluorobenzyl)-6-(methylamino)-9H-purine \| 9-[(2-fluorophenyl)methyl]-N-methylpurin-6-amine \| 9H-Purin-6-amine, 9-[(2-fluorophenyl)methyl]-N-methyl- \| DX8S5Q0N0S \| 9-(2-Fluorobenzyl)-N-methyl-9H-purin-6-amine \| 9-((2-Fluorophenyl)me
Specifications & Purity	10mM in DMSO
Biochemical and Physiological Mechanisms	BW-A78U, an adenine derivative PDE inhibitor, has anticonvulsant activity.
Storage Temp	Protected from light,Store at -80°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	Information BW-A78U BW-A78U, an adenine derivative PDE inhibitor, has anticonvulsant activity.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Imidazopyrimidines
    - Subclass Purines and purine derivatives
      - Level5 6-aminopurines
        Level6 6-alkylaminopurines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Imidazopyrimidines
Subclass	Purines and purine derivatives
Intermediate Tree Nodes	6-aminopurines
Direct Parent	6-alkylaminopurines
Alternative Parents	Secondary alkylarylamines Fluorobenzenes Aminopyrimidines and derivatives N-substituted imidazoles Imidolactams Aryl fluorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organofluorides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	6-alkylaminopurine - Aminopyrimidine - Fluorobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - N-substituted imidazole - Pyrimidine - Benzenoid - Imidolactam - Imidazole - Heteroaromatic compound - Azole - Secondary amine - Azacycle - Organofluoride - Organohalogen compound - Amine - Hydrocarbon derivative - Organopnictogen compound - Organonitrogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as 6-alkylaminopurines. These are compounds that contain an alkylamine group attached at the 6-position of a purine. Purine is a bicyclic aromatic compound made up of a pyrimidine ring fused to an imidazole ring.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Product Properties

ALogP	2.108
hba_count	3
HBD Count	1
Rotatable Bond	3

Names and Identifiers

IUPAC Name	9-[(2-fluorophenyl)methyl]-N-methylpurin-6-amine
INCHI	InChI=1S/C13H12FN5/c1-15-12-11-13(17-7-16-12)19(8-18-11)6-9-4-2-3-5-10(9)14/h2-5,7-8H,6H2,1H3,(H,15,16,17)
InChIKey	MZABAGHILOTTOD-UHFFFAOYSA-N
Smiles	CNC1=C2C(=NC=N1)N(C=N2)CC3=CC=CC=C3F
Isomeric SMILES	CNC1=C2C(=NC=N1)N(C=N2)CC3=CC=CC=C3F
Molecular Weight	257.27
Reaxy-Rn	4517870
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4517870&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Sensitivity	light sensitive
DMSO(mg / mL) Max Solubility	51
DMSO(mM) Max Solubility	198.235316982159
Water(mg / mL) Max Solubility	＜1
Flash Point(°C)	242.8°C
Boil Point(°C)	477.9°C
Molecular Weight	257.269 g/mol
XLogP3	2.500
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	257.108 Da
Monoisotopic Mass	257.108 Da
Topological Polar Surface Area	55.600 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	303.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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