WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: 125368
CAS#: 1334519-42-4 (tosylate)
Description: VA-111913 is a vasopressin receptor antagonist potentially for the treatment of dysmenorrhea.
Hodoodo Cat#: 125368
Name: VA-111913 tosylate
CAS#: 1334519-42-4 (tosylate)
Chemical Formula: C30H29ClFN5O5S
Exact Mass: 625.16
Molecular Weight: 626.100
Elemental Analysis: C, 57.55; H, 4.67; Cl, 5.66; F, 3.03; N, 11.19; O, 12.78; S, 5.12
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Related CAS #: 1334519-42-4 (tosylate) 877856-17-2 (free base)
Synonym: VA-111913 tosylate; 813T1H5KZB; UNII-813T1H5KZB; 1334519-42-4;
IUPAC/Chemical Name: N-(4-(8-chloro-1-methyl-1,4,5,10-tetrahydrobenzo[b]pyrazolo[3,4-e][1,4]diazepine-5-carbonyl)-2-fluorobenzyl)cyclopropanecarboxamide 4-methylbenzenesulfonate
InChi Key: DMHLXBPDTVZRQU-UHFFFAOYSA-N
InChi Code: InChI=1S/C23H21ClFN5O2.C7H8O3S/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;1-6-2-4-7(5-3-6)11(8,9)10/h4-9,11,13,28H,2-3,10,12H2,1H3,(H,26,31);2-5H,1H3,(H,8,9,10)
SMILES Code: CC1=CC=C(C=C1)S(O)(=O)=O.CN2N=CC3=C2NC4=CC(Cl)=CC=C4N(C3)C(=O)C5=CC=C(CNC(=O)C6CC6)C(F)=C5
Appearance: To be determined
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: To be determined
Shelf Life: >2 years if stored properly
Drug Formulation: To be determined
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
More Info:
Biological target: | |
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The following data is based on the product molecular weight 626.10 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 |
Formulation protocol: | |
In vitro protocol: | |
In vivo protocol: |