WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 529531

CAS#: 957791-38-7

Description: VAL-201 is an androgen receptor antagonist potentially for the treatment of prostate cancer.

Chemical Structure

CAS# 957791-38-7

Theoretical Analysis

MedKoo Cat#: 529531
Name: VAL-201
CAS#: 957791-38-7
Chemical Formula: C55H87N19O11
Exact Mass: 1,189.68
Molecular Weight: 1,190.423
Elemental Analysis: C, 55.49; H, 7.37; N, 22.36; O, 14.78

Price and Availability

This product is not in stock, which may be available by custom synthesis. For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge). Quote less than 1g will not be provided. To request quote, please email to sales or click below button.
Note: Price will be listed if it is available in the future.

Synonym: VAL-201; VAL201; VAL 201

IUPAC/Chemical Name: (S)-1-(acetyl-L-prolyl-L-prolyl)-N-((S)-1-((S)-2-(((S)-1-(((S)-1-(((S)-1-(((2S,3S)-1-(((S)-1,6-diamino-1-oxohexan-2-yl)amino)-3-methyl-1-oxopentan-2-yl)amino)-5-guanidino-1-oxopentan-2-yl)amino)-1-oxopropan-2-yl)amino)-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl)carbamoyl)pyrrolidin-1-yl)-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl)pyrrolidine-2-carboxamide


InChi Code: InChI=1S/C55H87N19O11/c1-5-31(2)44(51(82)66-36(45(57)76)13-6-7-19-56)70-47(78)37(14-8-20-62-55(58)59)67-46(77)32(3)65-48(79)38(25-34-27-60-29-63-34)68-49(80)40-15-9-22-72(40)52(83)39(26-35-28-61-30-64-35)69-50(81)41-16-10-23-73(41)54(85)43-18-12-24-74(43)53(84)42-17-11-21-71(42)33(4)75/h27-32,36-44H,5-26,56H2,1-4H3,(H2,57,76)(H,60,63)(H,61,64)(H,65,79)(H,66,82)(H,67,77)(H,68,80)(H,69,81)(H,70,78)(H4,58,59,62)/t31-,32-,36-,37-,38-,39-,40-,41-,42-,43-,44-/m0/s1

SMILES Code: NCCCC[C@@H](C(N)=O)NC([C@H]([C@@H](C)CC)NC([C@H](CCCNC(N)=N)NC([C@H](C)NC([C@H](CC1=CNC=N1)NC([C@H]2N(C([C@H](CC3=CNC=N3)NC([C@H]4N(C([C@H]5N(C([C@H]6N(C(C)=O)CCC6)=O)CCC5)=O)CCC4)=O)=O)CCC2)=O)=O)=O)=O)=O

Appearance: Solid powder

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: Soluble in DMSO

Shelf Life: >2 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.9001

Product Data:

Preparing Stock Solutions

The following data is based on the product molecular weight 1190.423000000000000000000000000000 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL

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1: Xiang DF, Xu C, Kumaran D, Brown AC, Sauder JM, Burley SK, Swaminathan S, Raushel FM. Functional annotation of two new carboxypeptidases from the amidohydrolase superfamily of enzymes. Biochemistry. 2009 Jun 2;48(21):4567-76. doi: 10.1021/bi900453u. PubMed PMID: 19358546; PubMed Central PMCID: PMC2748308. 2: Thompson AJ, Padgett CL, Lummis SC. Mutagenesis and molecular modeling reveal the importance of the 5-HT3 receptor F-loop. J Biol Chem. 2006 Jun 16;281(24):16576-82. PubMed PMID: 16595668. 3: Matsui I, Matsui E, Sakai Y, Kikuchi H, Kawarabayasi Y, Ura H, Kawaguchi S, Kuramitsu S, Harata K. The molecular structure of hyperthermostable aromatic aminotransferase with novel substrate specificity from Pyrococcus horikoshii. J Biol Chem. 2000 Feb 18;275(7):4871-9. PubMed PMID: 10671523.