Name: Name:PKI-402
Brand: Angene
SKU: AG008TJ1
Rating: 90 (10 reviews)

PKI-402

CAS No.:

1173204-81-3

Catalog Number:

AG008TJ1

Molecular Formula:

C29H34N10O3

Molecular Weight:

570.6455

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

5mg

99%

1 week

United States

$332

- +

10mg

99%

1 week

United States

$515

- +

50mg

99%

1 week

United States

$1340

- +

100mg

99%

1 week

United States

$2340

- +

Product Description

Catalog Number:

AG008TJ1

Chemical Name:

PKI-402

CAS Number:

1173204-81-3

Molecular Formula:

C29H34N10O3

Molecular Weight:

570.6455

MDL Number:

MFCD18251484

IUPAC Name:

1-[4-(3-ethyl-7-morpholin-4-yltriazolo[4,5-d]pyrimidin-5-yl)phenyl]-3-[4-(4-methylpiperazine-1-carbonyl)phenyl]urea

InChI:

InChI=1S/C29H34N10O3/c1-3-39-27-24(34-35-39)26(37-16-18-42-19-17-37)32-25(33-27)20-4-8-22(9-5-20)30-29(41)31-23-10-6-21(7-11-23)28(40)38-14-12-36(2)13-15-38/h4-11H,3,12-19H2,1-2H3,(H2,30,31,41)

InChI Key:

ZAXFYGBKZSQBIV-UHFFFAOYSA-N

SMILES:

CCn1nnc2c1nc(nc2N1CCOCC1)c1ccc(cc1)NC(=O)Nc1ccc(cc1)C(=O)N1CCN(CC1)C

Properties

Complexity:

898

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

570.282g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

570.658g/mol

Monoisotopic Mass:

570.282g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

134A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.6

Literature

Title	Journal
Identification of 2-oxatriazines as highly potent pan-PI3K/mTOR dual inhibitors.	Bioorganic & medicinal chemistry letters 20110815
Antitumor efficacy profile of PKI-402, a dual phosphatidylinositol 3-kinase/mammalian target of rapamycin inhibitor.	Molecular cancer therapeutics 20100401
Lead optimization of N-3-substituted 7-morpholinotriazolopyrimidines as dual phosphoinositide 3-kinase/mammalian target of rapamycin inhibitors: discovery of PKI-402.	Journal of medicinal chemistry 20100128

Properties