Products for Research Use Only
RegisterLogin

SHP2/HDAC-IN-1

CAT: 0931-T72839-01Size: 25 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T72839-01Size:25 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
2831230-38-5
Target
Others, Phosphatase, HDAC
Related Pathways
Others, Chromatin/Epigenetic, DNA Damage/DNA Repair, Metabolism
Bioactivity
SHP2/HDAC-IN-1, a dual allosteric inhibitor targeting SHP2 and HDAC, exhibits potent inhibitory effects with IC 50 values of 20.4 nM (SHP2) and 25.3 nM (HDAC1), respectively. This compound activates T cells, enhances antigen presentation, and promotes cytokine secretion, facilitating efficient antitumor immunity. It holds potential for cancer immunotherapy research.
Smiles
ClC1=C(C=CC=C1Cl)C=2C(N)=NC(=CN2)N3CCC(NCC4=CC=C(C(NCC5=CC=C(/C=C/C(NO)=O)C=C5)=O)C=C4)(C)CC3
Molecular Formula
C34H35Cl2N7O3
Molecular Weight
660.59
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Shp2/hdac-IN-1
CAS Number2831230-38-5
PubChem CID165412812
IUPAC Name4-[[[1-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-4-methylpiperidin-4-yl]amino]methyl]-N-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methyl]benzamide
Molecular FormulaC34H35Cl2N7O3
Molecular Weight660.6
XLogP4.6
Topological Polar Surface Area146
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Heavy Atom Count46
Formal Charge0
Complexity1010
SMILES
CC1(CCN(CC1)C2=CN=C(C(=N2)N)C3=C(C(=CC=C3)Cl)Cl)NCC4=CC=C(C=C4)C(=O)NCC5=CC=C(C=C5)/C=C/C(=O)NO
InChI
InChI=1S/C34H35Cl2N7O3/c1-34(15-17-43(18-16-34)28-21-38-31(32(37)41-28)26-3-2-4-27(35)30(26)36)40-20-24-9-12-25(13-10-24)33(45)39-19-23-7-5-22(6-8-23)11-14-29(44)42-46/h2-14,21,40,46H,15-20H2,1H3,(H2,37,41)(H,39,45)(H,42,44)/b14-11+
InChIKey
CJJLAWVMRURPRM-SDNWHVSQSA-N
Chemical Structure
2D Structure
2D structure of Shp2/hdac-IN-1
CAS: 2831230-38-5
CID: 165412812
Formula: C34H35Cl2N7O3
MW: 660.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight660.6
XLogP34.6
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Exact Mass659.2178434
Monoisotopic Mass659.2178434
Topological Polar Surface Area146 Ų
Heavy Atom Count46
Formal Charge0
Complexity1010
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
T12903-01SHP2 IN-1
T72836-01SHP2/CDK4-IN-1
T207649-01EGFR/HDAC-IN-1
T15605-01JAK/HDAC-IN-1
T63142-01AChE/HDAC-IN-1
T61958-01MAO A/HDAC-IN-1
T61583-01CDK/HDAC-IN-1
T62521-01A2AAR/HDAC-IN-1
T211291-01HDAC degrader-1
T209386-01ALK/HDAC-IN-1

Alternative Products

CatalogName
GTR19212979-01SHP2/HDAC-IN-1
MBS5767604SHP2 IN-1
HY-114460SHP2-IN-1
A19099-50SHP2 IN-1 50mg
A19099-25SHP2 IN-1 25mg
GTR19213002-01SHP2/CDK4-IN-1
A19099-10SHP2 IN-1 10mg
A19099-1SHP2 IN-1 1mg
A19099-100SHP2 IN-1 100mg
A19099-5SHP2 IN-1 5mg

Popular Products