TX1-85-1

CAT: 0931-T17182-02Size: 5 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0931-T17182-02Size:5 mg

Selected

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

Quick Request Actions

CAS Number

1603845-32-4

Target

EGFR

Related Pathways

Tyrosine Kinase/Adaptors, Angiogenesis, JAK/STAT signaling

Purity

0.9812

Bioactivity

TX1-85-1 induces partial degradation of Her3 protein and attenuates Her3-dependent signaling. TX1-85-1 is an irreversible Her3 inhibitor (IC50: 23 nM) . TX1-85-1 is also the first selective Her3 ligand, which forms a covalent bond with Cys721 located in the ATP-binding site of Her3.

Smiles

CC(=O)N1CCN(CC1)C1CCC(CC1)n1nc(-c2ccc(Oc3ccccc3)c(NC(=O)C=C)c2)c2c(N)ncnc12

Molecular Formula

C32H36N8O3

Molecular Weight

580.68

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

TX1-85-1

TX1-85-1 is an aromatic ether.

CAS Number	1603845-32-4
PubChem CID	78243752
IUPAC Name	N-[5-[1-[4-(4-acetylpiperazin-1-yl)cyclohexyl]-4-aminopyrazolo[3,4-d]pyrimidin-3-yl]-2-phenoxyphenyl]prop-2-enamide
Molecular Formula	C32H36N8O3
Molecular Weight	580.7
XLogP	3.3
Topological Polar Surface Area	132
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	7
Heavy Atom Count	43
Formal Charge	0
Complexity	962

SMILES

CC(=O)N1CCN(CC1)C2CCC(CC2)N3C4=NC=NC(=C4C(=N3)C5=CC(=C(C=C5)OC6=CC=CC=C6)NC(=O)C=C)N

InChI

InChI=1S/C32H36N8O3/c1-3-28(42)36-26-19-22(9-14-27(26)43-25-7-5-4-6-8-25)30-29-31(33)34-20-35-32(29)40(37-30)24-12-10-23(11-13-24)39-17-15-38(16-18-39)21(2)41/h3-9,14,19-20,23-24H,1,10-13,15-18H2,2H3,(H,36,42)(H2,33,34,35)

InChIKey

FYICDSWKKFSYOM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1603845-32-4

CID: 78243752

Formula: C32H36N8O3

MW: 580.7

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	580.7
XLogP3	3.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	7
Exact Mass	580.29103704
Monoisotopic Mass	580.29103704
Topological Polar Surface Area	132 Å²
Heavy Atom Count	43
Formal Charge	0
Complexity	962
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
T212483-01	HIV-1-IN-85
T39861-01	AS-85
T206359-01	AChE-IN-85
T78574-01	EGFR-IN-85
T206275-01	α-Glucosidase-IN-85
T205411-01	HDAC-IN-85
T26457-01	A 85 4777
TSH-00357-01	Tween 85
T86677-01	HSD17B13-IN-85
T29537-01	AC 85

Alternative Products

Catalog	Name
MBS3613368-01	TX1-85-1
HY-100848R	TX1-85-1 (Standard)
A16361-25	TX1-85-1 25mg
A16361-5	TX1-85-1 5mg
A16361-1	TX1-85-1 1mg
A16361-50	TX1-85-1 50mg
A16361-10	TX1-85-1 10mg
GTR18023156	Con-Ins Tx1 Antibody
HY-175491	HIV-1-IN-85
C15340	1-Chloronaphthalene 85%

TX1-85-1

Chemical Information

Related Products

Alternative Products

Popular Products