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ASP4132

CAT: 0013-GTR19166512-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19166512-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
ASP4132
CAS Number
1640294-30-9
Product Name Alternative
Xenograft, breast, AMP-activated protein kinase, cancer, anti-cancer, AMPK, ASP 4132, ASP4132, ASP-4132, inhibit, orally, Inhibitor
Field of Research
Epigenetics & Chromatin, Signal Transduction
Purity
98.34% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:5 mg/mL (5.34 mM) ; Methanol:8.33 mg/mL (8.89 mM) ; DMSO:230 mg/mL (245.45 mM)
Smiles
Cc1ccc (cc1) S (O) (=O) =O.Cc1ccc (cc1) S (O) (=O) =O.COc1ccc (CN2CCC (CC2) c2ccc3nc ([nH]c3c2) C (=O) N2CCN (Cc3ccc (cc3) C (F) (F) F) CC2) cn1
Molecular Formula
C46H51F3N6O8S2
Molecular Weight
937.06
Storage Conditions
-20°C
Notes
For research use only.

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 Number1640294-30-9
PubChem CID146673134
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 FormulaC46H51F3N6O8S2
Molecular Weight937.1
Topological Polar Surface Area203
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count15
Rotatable Bond Count9
Heavy Atom Count65
Formal Charge0
Complexity1110
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
2D structure of (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)
CAS: 1640294-30-9
CID: 146673134
Formula: C46H51F3N6O8S2
MW: 937.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight937.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count15
Rotatable Bond Count9
Exact Mass936.31618944
Monoisotopic Mass936.31618944
Topological Polar Surface Area203 Ų
Heavy Atom Count65
Formal Charge0
Complexity1110
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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