Gamitrinib TPP

CAT: 0013-GTR19205825-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19205825-01Size:25 mg

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Description

Gamitrinib TPP

CAS Number

1131626-46-4

Field of Research

Metabolism Research, Signal Transduction

Smiles

CO[C@H]1C[C@H] (C) CC2=C (NCCCCCC[P+] (c3ccccc3) (c3ccccc3) c3ccccc3) C (=O) C=C (NC (=O) \C (C) =C\C=C/[C@H] (OC) [C@@H] (OC (N) =O) \C (C) =C\[C@H] (C) [C@H]1O) C2=O |c:7,48, t:40,46,59|

Molecular Formula

C52H65N3O8P

Molecular Weight

891.078

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Gamitrinib

Gamitrinib is a resorcinolic-based mitochondrial-targeted heat shock protein 90 (Hsp90) family inhibitor, with potential antineoplastic activity. Upon administration, gamitrinib targets and inhibits the activity of Hsp90 heat shock proteins, such as TNF receptor-associated protein-1 (TRAP1). This induces the accumulation of the mitochondrial kinase PINK1 and the cytosolic E3 ubiquitin (Ub) ligase Parkin, ubiquitylates substrate proteins, and induces PINK1/Parkin-dependent mitophagy. Gamitrinib induces acute mitochondrial dysfunction, loss of membrane potential and membrane rupture leading to the induction of apoptosis in susceptible tumor cells. Hsp90, a chaperone complex protein upregulated in a variety of tumor cell types, regulates the folding and degradation of many oncogenic signaling proteins.

CAS Number	1131626-46-4
PubChem CID	25232582
IUPAC Name	6-[[(4E,6Z,8S,9S,10E,12S,13R,14S,16R)-9-carbamoyloxy-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-19-yl]amino]hexyl-triphenylphosphanium
Molecular Formula	C52H65N3O8P+
Molecular Weight	891.1
XLogP	7.8
Topological Polar Surface Area	166
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	15
Heavy Atom Count	64
Formal Charge	1
Complexity	1690

SMILES

C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCCCCCC[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)/C)OC)OC(=O)N)\C)C)O)OC

InChI

InChI=1S/C52H64N3O8P/c1-35-31-42-47(54-29-18-7-8-19-30-64(39-22-12-9-13-23-39,40-24-14-10-15-25-40)41-26-16-11-17-27-41)44(56)34-43(49(42)58)55-51(59)36(2)21-20-28-45(61-5)50(63-52(53)60)38(4)33-37(3)48(57)46(32-35)62-6/h9-17,20-28,33-35,37,45-46,48,50,57H,7-8,18-19,29-32H2,1-6H3,(H3-,53,54,55,56,58,59,60)/p+1/b28-20-,36-21+,38-33+/t35-,37+,45+,46+,48-,50+/m1/s1

InChIKey

OAUJLFPWRFHSNE-FEHIUCOBSA-O

Chemical Structure

2D Structure

CAS: 1131626-46-4

CID: 25232582

Formula: C52H65N3O8P+

MW: 891.1

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	891.1
XLogP3	7.8
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	15
Exact Mass	890.45092804
Monoisotopic Mass	890.45092804
Topological Polar Surface Area	166 Å²
Heavy Atom Count	64
Formal Charge	1
Complexity	1690
Isotope Atom Count	0
Defined Atom Stereocenter Count	6
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	3
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
GVB62646-01	Gamitrinib
HY-102007	Gamitrinib TPP
CS-O-59734	Gamitrinib-d6
A13159-50	Gamitrinib TPP 50mg
A13159-10	Gamitrinib TPP 10mg
M32933-01	Gamitrinib TPP hexafluorophosphate
A13159-5	Gamitrinib TPP 5mg
A13159-1	Gamitrinib TPP 1mg
A21474-25	Gamitrinib TPP hexafluorophosphate 25mg
A21474-10	Gamitrinib TPP hexafluorophosphate 10mg

Gamitrinib TPP

Chemical Information

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