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MedKoo Cat#: 464162 | Name: cis-22a
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Description:

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

cis-22a is a TRPV6 inhibitor (IC50 = 0.32 μM), which exhibits selectivity against related TRPV channels and calcium channels. cis-22a displays antiproliferative effects on T47D human breast cancer cells.

Chemical Structure

cis-22a
cis-22a
CAS#1819366-84-1

Theoretical Analysis

MedKoo Cat#: 464162

Name: cis-22a

CAS#: 1819366-84-1

Chemical Formula: C26H31F6N3O4

Exact Mass: 563.2219

Molecular Weight: 563.54

Elemental Analysis: C, 55.41; H, 5.54; F, 20.23; N, 7.46; O, 11.36

Price and Availability

Size Price Availability Quantity
5mg USD 350.00 2 Weeks
10mg USD 650.00 2 Weeks
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Related CAS #
No Data
Synonym
cis-22a; cis22a; cis 22a;
IUPAC/Chemical Name
1-(pyridin-3-yl)-4-((1s,4s)-4-(m-tolyl)cyclohexyl)piperazine bis(2,2,2-trifluoroacetate)
InChi Key
UMKPISXYUQWXJJ-XWOHEVPJSA-N
InChi Code
InChI=1S/C22H29N3.2C2HF3O2/c1-18-4-2-5-20(16-18)19-7-9-21(10-8-19)24-12-14-25(15-13-24)22-6-3-11-23-17-22;2*3-2(4,5)1(6)7/h2-6,11,16-17,19,21H,7-10,12-15H2,1H3;2*(H,6,7)/t19-,21+;;
SMILES Code
CC1=CC=CC([C@@H]2CC[C@@H](CC2)N3CCN(CC3)C4=CN=CC=C4)=C1.OC(C(F)(F)F)=O.OC(C(F)(F)F)=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
More Info
Solvent mg/mL mM comments
Solubility
Soluble in DMSO 0.0 100.00
Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

The following data is based on the product molecular weight 563.54 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
1: Cunha MR, Bhardwaj R, Carrel AL, Lindinger S, Romanin C, Parise-Filho R, Hediger MA, Reymond JL. Natural product inspired optimization of a selective TRPV6 calcium channel inhibitor. RSC Med Chem. 2020 Jul 16;11(9):1032-1040. doi: 10.1039/d0md00145g. PMID: 33479695; PMCID: PMC7513592.