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Itacnosertib

CAT: 0013-GTR19189550-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19189550-01Size:1 mg
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Description
Itacnosertib (TP-0184) is an orally bioavailable small molecule inhibitor targeting ACRV1 (ALK-2), FLT3, and JAK2. It demonstrates antitumor activity by overcoming FLT3 inhibitor resistance and synergizing with venetoclax in AML models, as shown in preclinical in vitro and in vivo studies.
CAS Number
1628870-27-8
Product Name Alternative
Itacnosertib, TP 0184, TP0184, TP-0184
Field of Research
Cardiovascular Research, Epigenetics & Chromatin, Signal Transduction, Stem Cell & Developmental Biology
Purity
99.38% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:1 mg/mL (2.13 mM) ; DMSO:10 mg/mL (21.34 mM)
Smiles
N=1C=CC (=NC1NC2=CC=C (C (OC) =C2) N3CCN (C) CC3) NC=4C=CC=NC4C5=NC=CC=C5
Molecular Formula
C26H28N8O
Molecular Weight
468.55
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Itacnosertib

Itacnosertib is a small molecule drug. The usage of the INN stem '-sertib' in the name indicates that Itacnosertib is a serine/threonine kinase inhibitor. Itacnosertib has a monoisotopic molecular weight of 468.24 Da.

CAS Number1628870-27-8
PubChem CID86290265
IUPAC Name2-N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-4-N-(2-pyridin-2-yl-3-pyridinyl)pyrimidine-2,4-diamine
Molecular FormulaC26H28N8O
Molecular Weight468.6
XLogP3.4
Topological Polar Surface Area91.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Heavy Atom Count35
Formal Charge0
Complexity632
SMILES
CN1CCN(CC1)C2=C(C=C(C=C2)NC3=NC=CC(=N3)NC4=C(N=CC=C4)C5=CC=CC=N5)OC
InChI
InChI=1S/C26H28N8O/c1-33-14-16-34(17-15-33)22-9-8-19(18-23(22)35-2)30-26-29-13-10-24(32-26)31-21-7-5-12-28-25(21)20-6-3-4-11-27-20/h3-13,18H,14-17H2,1-2H3,(H2,29,30,31,32)
InChIKey
XSQKEVGTZSBVBR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Itacnosertib
CAS: 1628870-27-8
CID: 86290265
Formula: C26H28N8O
MW: 468.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight468.6
XLogP33.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Exact Mass468.23860755
Monoisotopic Mass468.23860755
Topological Polar Surface Area91.3 Ų
Heavy Atom Count35
Formal Charge0
Complexity632
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA4911-1Itacnosertib
E1732-25mgItacnosertib (TP-0184)
T84696-01Itacnosertib (hydrocholide)
HY-109179A-01Itacnosertib (hydrochloride)

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