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Alvespimycin Hydrochloride

CAT: 1459-CS-BP-00042Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1459-CS-BP-00042Size:1 Each
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Description
Alvespimycin Hydrochloride is listed under Pesticide Standards and is intended for analytical research, quality control and pharmaceutical reference standard applications. It is associated with Alvespimycin. The product is supplied by Clearsynth under CAT No. CS-BP-00042. Clearsynth provides this compound for research and analytical use, with product information including CAS number, molecular formula, molecular weight and product enquiry details.
Overview
Useful research chemical for a range of applications.
CAS Number
467214-21-7
Synonyms
Alvespimycin Hydrochloride
Molecular Formula
C 32 H 49 ClN 4 O 8
Molecular Weight
653.21
Additionnal Information
Alvespimycin Hydrochloride is supplied with detailed characterization data compliant with regulatory guideline. Alvespimycin Hydrochloride can be used for analytical method development, method validation (AMV), Quality Control (QC) application for Abbreviated New Drug Application (ANDA), or during commercial production of Alvespimycin.
Storage Conditions
Refer MSDS for complete information.
Applications Notes
Useful research chemical for a range of applications.
HSN Code
38229010
Hazard Compound
Refer MSDS for complete information.

Chemical Information

Alvespimycin Hydrochloride

Alvespimycin Hydrochloride is the hydrochloride salt of alvespimycin, an analogue of the antineoplastic benzoquinone antibiotic geldanamycin. Alvespimycin binds to HSP90, a chaperone protein that aids in the assembly, maturation and folding of proteins. Subsequently, the function of Hsp90 is inhibited, leading to the degradation and depletion of its client proteins such as kinases and transcription factors involved with cell cycle regulation and signal transduction.

CAS Number467214-21-7
PubChem CID9852573
IUPAC Name[(4E,6Z,8S,9S,10E,12S,13R,14S,16R)-19-[2-(dimethylamino)ethylamino]-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-9-yl] carbamate;hydrochloride
Molecular FormulaC32H49ClN4O8
Molecular Weight653.2
Topological Polar Surface Area170
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Heavy Atom Count45
Formal Charge0
Complexity1230
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)NCCN(C)C)/C)OC)OC(=O)N)\C)C)O)OC.Cl
InChI
InChI=1S/C32H48N4O8.ClH/c1-18-14-22-27(34-12-13-36(5)6)24(37)17-23(29(22)39)35-31(40)19(2)10-9-11-25(42-7)30(44-32(33)41)21(4)16-20(3)28(38)26(15-18)43-8;/h9-11,16-18,20,25-26,28,30,34,38H,12-15H2,1-8H3,(H2,33,41)(H,35,40);1H/b11-9-,19-10+,21-16+;/t18-,20+,25+,26+,28-,30+;/m1./s1
InChIKey
DFSYBWLNYPEFJK-IHLRWNDRSA-N
Chemical Structure
2D Structure
2D structure of Alvespimycin Hydrochloride
CAS: 467214-21-7
CID: 9852573
Formula: C32H49ClN4O8
MW: 653.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight653.2
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Exact Mass652.3238922
Monoisotopic Mass652.3238922
Topological Polar Surface Area170 Ų
Heavy Atom Count45
Formal Charge0
Complexity1230
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count3
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
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A14990-5Alvespimycin 5mg
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A14990-50Alvespimycin 50mg
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