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Darinaparsin

CAT: 0013-GTR19243186-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19243186-02Size:50 mg
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Description
Darinaparsin is a cytotoxic dimethylarsenic-glutathione compound effective against various prostate cancer and lymphoma cell lines in vitro, with IC50 values in the low micromolar range. It modulates Hedgehog signaling and ERK phosphorylation, reduces tumor-initiating cells, and demonstrates in vivo efficacy by inhibiting tumor growth in prostate cancer xenograft models.
CAS Number
69819-86-9
Field of Research
Cell Biology
Smiles
[C@@H] (NC (CC[C@@H] (C (O) =O) N) =O) (C (NCC (O) =O) =O) CS[As] (C) C
Molecular Formula
C12H22AsN3O6S
Molecular Weight
411.31
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Darinaparsin

(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-(dimethylarsinothio)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid is a peptide.

CAS Number69819-86-9
PubChem CID11683005
IUPAC Name(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-dimethylarsanylsulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
Molecular FormulaC12H22AsN3O6S
Molecular Weight411.31
Topological Polar Surface Area184
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count11
Heavy Atom Count23
Formal Charge0
Complexity449
SMILES
C[As](C)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N
InChI
InChI=1S/C12H22AsN3O6S/c1-13(2)23-6-8(11(20)15-5-10(18)19)16-9(17)4-3-7(14)12(21)22/h7-8H,3-6,14H2,1-2H3,(H,15,20)(H,16,17)(H,18,19)(H,21,22)/t7-,8-/m0/s1
InChIKey
JGDXFQORBMPJGR-YUMQZZPRSA-N
Chemical Structure
2D Structure
2D structure of Darinaparsin
CAS: 69819-86-9
CID: 11683005
Formula: C12H22AsN3O6S
MW: 411.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight411.31
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count11
Exact Mass411.044526
Monoisotopic Mass411.044526
Topological Polar Surface Area184 Ų
Heavy Atom Count23
Formal Charge0
Complexity449
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-14943-01Darinaparsin
445803-01Darinaparsin-d5
A22529-50Darinaparsin 50mg
A22529-10Darinaparsin 10mg
A22529-5Darinaparsin 5mg
A22529-100Darinaparsin 100mg
445802Darinaparsin-d3

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