ASP4132

CAT: 0804-HY-136447-01Size: 1 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0804-HY-136447-01Size:1 mg

Selected

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

Quick Request Actions

Description

ASP4132 is an orally active, potent AMPK activator with an EC50 of 18 nM. ASP4132 has anti-cancer activity and makes tumor regression in breast cancer xenograft mouse models[1].

CAS Number

1640294-30-9

UNSPSC

12352005

Hazard Statement

H302, H315, H319, H335

Target

AMPK

Type

Reference compound

Related Pathways

Epigenetics; PI3K/Akt/mTOR

Applications

Cancer-Kinase/protease

Field of Research

Cancer

Assay Protocol

https://www.medchemexpress.com/asp4132.html

Purity

99.81

Solubility

DMSO : 100 mg/mL (ultrasonic)

Smiles

O=C(C1=NC2=CC=C(C3CCN(CC4=CC=C(OC)N=C4)CC3)C=C2N1)N5CCN(CC6=CC=C(C(F)(F)F)C=C6)CC5.O=S(C7=CC=C(C)C=C7)(O)=O.O=S(C8=CC=C(C)C=C8)(O)=O

Molecular Formula

C46H51F3N6O8S2

Molecular Weight

937.06

Precautions

H302, H315, H319, H335

References & Citations

[1]Kazuyuki Kuramoto, et al. Development of a Potent and Orally Active Activator of Adenosine Monophosphate-Activated Protein Kinase (AMPK), ASP4132, as a Clinical Candidate for the Treatment of Human Cancer. Bioorg Med Chem. 2020 Mar 1;28 (5) :115307.

Shipping Conditions

Room Temperature

Storage Conditions

4°C (Powder, sealed storage, away from moisture)

Scientific Category

Reference compound1

Clinical Information

Phase 1

Isoform

AMPK

Chemical Information

(6-(1-((6-methoxypyridin-3-yl)methyl)piperidin-4-yl)-1H-benzo(d)imidazol-2-yl)(4-(4-(trifluoromethyl)benzyl)piperazin-1-yl)methanone bis(4-methylbenzenesulfonate)

ASP4132 is a molecule with potential antineoplastic activity. Upon oral administration, ASP4132 affects oxidative phosphorylation in mitochondria of metabolically-active tumor cells, which reduces both energy production and tumor cell proliferation. Mitochondrial oxidative phosphorylation is hyperactivated in tumor cells and plays a key role in the promotion of tumor cell proliferation.

CAS Number	1640294-30-9
PubChem CID	146673134
IUPAC Name	[6-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone;bis(4-methylbenzenesulfonic acid)
Molecular Formula	C46H51F3N6O8S2
Molecular Weight	937.1
Topological Polar Surface Area	203
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	15
Rotatable Bond Count	9
Heavy Atom Count	65
Formal Charge	0
Complexity	1110

SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O.COC1=NC=C(C=C1)CN2CCC(CC2)C3=CC4=C(C=C3)N=C(N4)C(=O)N5CCN(CC5)CC6=CC=C(C=C6)C(F)(F)F

InChI

InChI=1S/C32H35F3N6O2.2C7H8O3S/c1-43-29-9-4-23(19-36-29)21-39-12-10-24(11-13-39)25-5-8-27-28(18-25)38-30(37-27)31(42)41-16-14-40(15-17-41)20-22-2-6-26(7-3-22)32(33,34)35;2*1-6-2-4-7(5-3-6)11(8,9)10/h2-9,18-19,24H,10-17,20-21H2,1H3,(H,37,38);2*2-5H,1H3,(H,8,9,10)

InChIKey

KDMGCEXVMOJAAC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1640294-30-9

CID: 146673134

Formula: C46H51F3N6O8S2

MW: 937.1

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	937.1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	15
Rotatable Bond Count	9
Exact Mass	936.31618944
Monoisotopic Mass	936.31618944
Topological Polar Surface Area	203 Å²
Heavy Atom Count	65
Formal Charge	0
Complexity	1110
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	3
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
HY-167084A	ASP9133
HY-120478-01	ASP6432

Alternative Products

Catalog	Name
MBS5759230	ASP4132
A22339-5	ASP4132 5mg
A22339-2	ASP4132 2mg
A22339-50	ASP4132 50mg
A22339-1	ASP4132 1mg
bs-7130C-01	ASP4132 tosylate
A22339-25	ASP4132 25mg
A22339-100	ASP4132 100mg
A22339-10	ASP4132 10mg

ASP4132

Chemical Information

Related Products

Alternative Products

Popular Products