WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 529705
Description: VA-111913 is a vasopressin receptor antagonist potentially for the treatment of dysmenorrhea
MedKoo Cat#: 529705
Chemical Formula: C23H21ClFN5O2
Exact Mass: 453.1368
Molecular Weight: 453.9
Elemental Analysis: C, 60.86; H, 4.66; Cl, 7.81; F, 4.19; N, 15.43; O, 7.05
This product is not in stock, which may be available by custom synthesis.
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Synonym: VA-111913; VA111913; VA 111913
IUPAC/Chemical Name: N-(4-(8-chloro-1-methyl-1,2,4,5-tetrahydrobenzo[b]pyrazolo[3,4-e][1,4]diazepine-5-carbonyl)-2-fluorobenzyl)cyclopropanecarboxamide
InChi Key: FZODHQCUEWKCIA-UHFFFAOYSA-N
InChi Code: InChI=1S/C23H21ClFN5O2/c1-29-21-16(11-27-29)12-30(20-7-6-17(24)9-19(20)28-21)23(32)14-4-5-15(18(25)8-14)10-26-22(31)13-2-3-13/h4-9,11,13,27H,2-3,10,12H2,1H3,(H,26,31)
SMILES Code: O=C(C1CC1)NCC2=CC=C(C(N3CC4=CNN(C)C4=NC5=CC(Cl)=CC=C53)=O)C=C2F
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
The following data is based on the product molecular weight 453.9 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.
|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|