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Valspodar

CAT: 0013-GTR19202945-04Size: 1 ml x 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0013-GTR19202945-04Size:1 ml x 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Valspodar (PSC 833) is a potent and specific inhibitor of P-glycoprotein, functioning as a multidrug resistance (MDR) modulator. It is widely utilized in oncology research, particularly in both in vitro and in vivo studies of advanced epithelial ovarian cancer, to investigate chemosensitization and overcome drug resistance.
CAS Number
121584-18-7
Product Name Alternative
Pgp, P-glycoprotein, PSC 833, PSC833, PSC-833, Valspodar
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Purity
95.00% (May vary between batches)
Solubility
DMSO:90 mg/mL (74.1 mM) ;10% DMSO+90% Corn Oil:3.3 mg/mL (2.72 mM)
Smiles
C\C=C\C[C@@H] (C) C (=O) [C@@H]1N (C) C (=O) [C@H] (C (C) C) N (C) C (=O) [C@H] (CC (C) C) N (C) C (=O) [C@H] (CC (C) C) N (C) C (=O) [C@@H] (C) NC (=O) [C@H] (C) NC (=O) [C@H] (CC (C) C) N (C) C (=O) [C@@H] (NC (=O) [C@H] (CC (C) C) N (C) C (=O) CN (C) C (=O) [C@@H] (NC1=O) C (C) C) C (C) C
Molecular Formula
C63H111N11O12
Molecular Weight
1214.62
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Valspodar

SDZ PSC 833 is a homodetic cyclic peptide.

CAS Number121584-18-7
PubChem CID5281884
IUPAC Name(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-1,4,7,10,12,15,19,25,28-nonamethyl-33-[(E,2R)-2-methylhex-4-enoyl]-6,9,18,24-tetrakis(2-methylpropyl)-3,21,30-tri(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone
Molecular FormulaC63H111N11O12
Molecular Weight1214.6
XLogP7.7
Topological Polar Surface Area276
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count12
Rotatable Bond Count15
Heavy Atom Count86
Formal Charge0
Complexity2410
SMILES
C/C=C/C[C@@H](C)C(=O)[C@H]1C(=O)N[C@H](C(=O)N(CC(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C)C(C)C
InChI
InChI=1S/C63H111N11O12/c1-26-27-28-41(16)53(76)52-57(80)67-49(38(10)11)61(84)68(19)33-48(75)69(20)44(29-34(2)3)56(79)66-50(39(12)13)62(85)70(21)45(30-35(4)5)55(78)64-42(17)54(77)65-43(18)58(81)71(22)46(31-36(6)7)59(82)72(23)47(32-37(8)9)60(83)73(24)51(40(14)15)63(86)74(52)25/h26-27,34-47,49-52H,28-33H2,1-25H3,(H,64,78)(H,65,77)(H,66,79)(H,67,80)/b27-26+/t41-,42+,43-,44+,45+,46+,47+,49+,50+,51+,52+/m1/s1
InChIKey
YJDYDFNKCBANTM-QCWCSKBGSA-N
Chemical Structure
2D Structure
2D structure of Valspodar
CAS: 121584-18-7
CID: 5281884
Formula: C63H111N11O12
MW: 1214.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1214.6
XLogP37.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count12
Rotatable Bond Count15
Exact Mass1213.84136802
Monoisotopic Mass1213.84136802
Topological Polar Surface Area276 Ų
Heavy Atom Count86
Formal Charge0
Complexity2410
Isotope Atom Count0
Defined Atom Stereocenter Count11
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
A3905-20Valspodar
MBS386353-01PSC-833 (Valspodar)
RM-C191640-01Cyclosporin Impurity 40; Valspodar
A11080-50PSC-833 (Valspodar) 50mg

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