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NDI-101150

CAT: 0957-E4726-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0957-E4726-02Size:5 mg
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Description
NDI-101150 is a potent HPK1 (MAP4K1) inhibitor that selectively activates immune cells such as T cells, B cells, and dendritic cells. It significantly inhibits tumor growth and induces complete tumor regression in the EMT-6 mouse model.
CAS Number
2628486-22-4
Target
MAP4K
Activity
MAPK
Molecular Formula
C27H27FN6O2

Chemical Information

(S)-7-((6-((Dimethylamino)methyl)-5-(tetrahydrofuran-3-YL)pyridin-2-YL)amino)-4-(7-fluoroimidazo[1,2-A]pyridin-3-YL)isoindolin-1-one

Hpk1 Inhibitor NDI-101150 is an orally bioavailable inhibitor of the serine/threonine enzyme hematopoietic progenitor kinase 1 (Hpk1; Hpk-1; mitogen-activated protein kinase kinase kinase kinase 1; MAP4K1; MEKKK1), with potential immunostimulating and antineoplastic activities. Upon oral administration, Hpk1 inhibitor NDI-101150 targets, binds to and inhibits the activity of Hpk1. This inhibits Hpk1-mediated signaling pathways and prevents Hpk1-mediated immunosuppression by preventing the inhibition of T cell receptors (TCR) signaling and effector T-cells, disrupting abnormal cytokine expression, and abrogating the immunosuppressive tumor microenvironment (TME). This may activate a cytotoxic T-lymphocyte (CTL)-mediated immune response against tumor cells. Hpk1, expressed in hematopoietic cells, is a negative regulator of TCR signaling and T- and B-cell activation.

CAS Number2628486-22-4
PubChem CID156152735
IUPAC Name7-[[6-[(dimethylamino)methyl]-5-[(3S)-oxolan-3-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one
Molecular FormulaC27H27FN6O2
Molecular Weight486.5
XLogP3.1
Topological Polar Surface Area83.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count36
Formal Charge0
Complexity787
SMILES
CN(C)CC1=C(C=CC(=N1)NC2=C3C(=C(C=C2)C4=CN=C5N4C=CC(=C5)F)CNC3=O)[C@@H]6CCOC6
InChI
InChI=1S/C27H27FN6O2/c1-33(2)14-22-18(16-8-10-36-15-16)4-6-24(32-22)31-21-5-3-19(20-12-30-27(35)26(20)21)23-13-29-25-11-17(28)7-9-34(23)25/h3-7,9,11,13,16H,8,10,12,14-15H2,1-2H3,(H,30,35)(H,31,32)/t16-/m1/s1
InChIKey
QOMXZMCZISKNPU-MRXNPFEDSA-N
Chemical Structure
2D Structure
2D structure of (S)-7-((6-((Dimethylamino)methyl)-5-(tetrahydrofuran-3-YL)pyridin-2-YL)amino)-4-(7-fluoroimidazo[1,2-A]pyridin-3-YL)isoindolin-1-one
CAS: 2628486-22-4
CID: 156152735
Formula: C27H27FN6O2
MW: 486.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight486.5
XLogP33.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass486.21795229
Monoisotopic Mass486.21795229
Topological Polar Surface Area83.8 Ų
Heavy Atom Count36
Formal Charge0
Complexity787
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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