TAS0728

CAT: 1568-C13705-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1568-C13705-02Size:25 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

2088323-16-2

Synonyms

TPC 107

SKU

C13705-5mg

Target

HER2

Applications

Protein Tyrosine Kinase

Smiles

CC1=C (C=CC (=C1C) NC (=O) C2=NN (C3=NC=NC (=C23) N) C4CCCN (C4) C (=O) C=C) CC (=O) N (C) C

Molecular Formula

C26H32N8O3

Additionnal Information

TAS0728 (TPC 107) is a potent, selective, orally active, irreversible and covalent-binding inhibitor of HER2 (human epidermal growth factor receptor 2) with IC50 of 13 nM. TAS0728 inihibits BMX, HER4, BLK, EGFR, JAK3, SLK, LOK and human HER2 with IC50 of 4.9 nM, 8.5 nM, 31 nM, 65 nM, 33 nM, 25 nM, 86 nM and 36 nM, respectively. TAS0728 shows antitumor activity.

Storage Conditions

3 years -20°C powder

Chemical Information

(R)-1-(1-acryloylpiperidin-3-yl)-4-amino-N-(4-(2-(dimethylamino)-2-oxoethyl)-2,3-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidine-3-carboxamide

CAS Number	2088323-16-2
PubChem CID	130275856
IUPAC Name	4-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]-2,3-dimethylphenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[3,4-d]pyrimidine-3-carboxamide
Molecular Formula	C26H32N8O3
Molecular Weight	504.6
XLogP	1.7
Topological Polar Surface Area	139
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Heavy Atom Count	37
Formal Charge	0
Complexity	869

SMILES

CC1=C(C=CC(=C1C)NC(=O)C2=NN(C3=NC=NC(=C23)N)[C@@H]4CCCN(C4)C(=O)C=C)CC(=O)N(C)C

InChI

InChI=1S/C26H32N8O3/c1-6-20(35)33-11-7-8-18(13-33)34-25-22(24(27)28-14-29-25)23(31-34)26(37)30-19-10-9-17(15(2)16(19)3)12-21(36)32(4)5/h6,9-10,14,18H,1,7-8,11-13H2,2-5H3,(H,30,37)(H2,27,28,29)/t18-/m1/s1

InChIKey

JCCIICHPRAAMGK-GOSISDBHSA-N

Chemical Structure

2D Structure

CAS: 2088323-16-2

CID: 130275856

Formula: C26H32N8O3

MW: 504.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	504.6
XLogP3	1.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Exact Mass	504.25973691
Monoisotopic Mass	504.25973691
Topological Polar Surface Area	139 Å²
Heavy Atom Count	37
Formal Charge	0
Complexity	869
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
HY-111553-01	TAS0728
A19382-200	TAS0728 200mg
A19382-5	TAS0728 5mg
AR-T04014-01	TAS0728-d6
A19382-25	TAS0728 25mg
A19382-10	TAS0728 10mg
A19382-1	TAS0728 1mg
A19382-50	TAS0728 50mg
A19382-100	TAS0728 100mg
A19382-10mM-D	TAS0728 10mM * 1mL in DMSO

TAS0728

Chemical Information

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