Name: Name:3,3'-(2,4-Diamino-6,7-pteridinediyl)bisphenol
Brand: Angene
SKU: AG006K0J
Rating: 90 (10 reviews)

3,3'-(2,4-Diamino-6,7-pteridinediyl)bisphenol

CAS No.:

677297-51-7

Catalog Number:

AG006K0J

Molecular Formula:

C18H14N6O2

Molecular Weight:

346.3428

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

5mg

99%

1 week

United States

$190

- +

10mg

99%

1 week

United States

$273

- +

50mg

99%

1 week

United States

$707

- +

Product Description

Catalog Number:

AG006K0J

Chemical Name:

3,3'-(2,4-Diamino-6,7-pteridinediyl)bisphenol

CAS Number:

677297-51-7

Molecular Formula:

C18H14N6O2

Molecular Weight:

346.3428

MDL Number:

MFCD16038873

IUPAC Name:

3-[2,4-diamino-7-(3-hydroxyphenyl)pteridin-6-yl]phenol

InChI:

InChI=1S/C18H14N6O2/c19-16-15-17(24-18(20)23-16)22-14(10-4-2-6-12(26)8-10)13(21-15)9-3-1-5-11(25)7-9/h1-8,25-26H,(H4,19,20,22,23,24)

InChI Key:

UJIAQDJKSXQLIT-UHFFFAOYSA-N

SMILES:

Oc1cccc(c1)c1nc2nc(N)nc(c2nc1c1cccc(c1)O)N

UNII:

7ACH1U1E2M

Properties

Complexity:

483

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

346.118g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

346.35g/mol

Monoisotopic Mass:

346.118g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

144A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.7

Literature

Title	Journal
PI3Kδ and PI3Kγ as targets for autoimmune and inflammatory diseases.	Journal of medicinal chemistry 20121025
Comprehensive analysis of kinase inhibitor selectivity.	Nature biotechnology 20111030
Activation state-dependent binding of small molecule kinase inhibitors: structural insights from biochemistry.	Chemistry & biology 20101124
Aerosolized phosphoinositide 3-kinase gamma/delta inhibitor TG100-115 [3-[2,4-diamino-6-(3-hydroxyphenyl)pteridin-7-yl]phenol] as a therapeutic candidate for asthma and chronic obstructive pulmonary disease.	The Journal of pharmacology and experimental therapeutics 20090301
Discovery of 3,3'-(2,4-diaminopteridine-6,7-diyl)diphenol as an isozyme-selective inhibitor of PI3K for the treatment of ischemia reperfusion injury associated with myocardial infarction.	Journal of medicinal chemistry 20070906

Properties