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MedKoo Cat#: 463497 | Name: Ciapavir free base

Description:

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

Ciapavir is a novel bivalent next-generation Smac mimetic, specifically optimized for HIV-1 latency reversal that was found to be more efficacious as a latency-reversing agent than other Smac mimetics under clinical development for cancer.

Chemical Structure

Ciapavir free base
Ciapavir free base
CAS#2433895-70-4 (free base)

Theoretical Analysis

MedKoo Cat#: 463497

Name: Ciapavir free base

CAS#: 2433895-70-4 (free base)

Chemical Formula: C54H70N8O8S2

Exact Mass: 1022.4758

Molecular Weight: 1023.32

Elemental Analysis: C, 63.38; H, 6.90; N, 10.95; O, 12.51; S, 6.27

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
2433895-71-5 (HCl) 2433895-70-4 (free base)
Synonym
Ciapavir; SBI-0953294; SBI0953294; SBI 0953294;
IUPAC/Chemical Name
(4S,4'S,7S,7'S,9aS,9a'S)-N,N'-((1S,1'S,2R,2'R)-(hexa-2,4-diyne-1,6-diylbis(oxy))bis(2,3-dihydro-1H-indene-2,1-diyl))bis(8,8-dimethyl-4-((S)-2-(methylamino)propanamido)-5-oxooctahydropyrrolo[2,1-b][1,3]thiazepine-7-carboxamide)
InChi Key
QYUQEIDUJNTYDQ-FPKACUMUSA-N
InChi Code
InChI=1S/C54H70N8O8S2/c1-31(55-7)47(63)57-37-21-25-71-41-29-53(3,4)45(61(41)51(37)67)49(65)59-43-35-19-13-11-17-33(35)27-39(43)69-23-15-9-10-16-24-70-40-28-34-18-12-14-20-36(34)44(40)60-50(66)46-54(5,6)30-42-62(46)52(68)38(22-26-72-42)58-48(64)32(2)56-8/h11-14,17-20,31-32,37-46,55-56H,21-30H2,1-8H3,(H,57,63)(H,58,64)(H,59,65)(H,60,66)/t31-,32-,37-,38-,39+,40+,41-,42-,43-,44-,45+,46+/m0/s1
SMILES Code
O=C(N[C@@H]1[C@@H](CC2=C1C=CC=C2)OCC#CC#CCO[C@H]3[C@H](C4=C(C3)C=CC=C4)NC([C@@H]5C(C)(C[C@]([H])(SCC[C@@H]6NC([C@H](C)NC)=O)N5C6=O)C)=O)[C@@H]7C(C)(C[C@]([H])(SCC[C@@H]8NC([C@H](C)NC)=O)N7C8=O)C
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
>3 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

Preparing Stock Solutions

The following data is based on the product molecular weight 1,023.32 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: Pache L, Marsden MD, Teriete P, Portillo AJ, Heimann D, Kim JT, Soliman MSA, Dimapasoc M, Carmona C, Celeridad M, Spivak AM, Planelles V, Cosford NDP, Zack JA, Chanda SK. Pharmacological Activation of Non-canonical NF-κB Signaling Activates Latent HIV-1 Reservoirs In Vivo. Cell Rep Med. 2020 Jun 23;1(3):100037. doi: 10.1016/j.xcrm.2020.100037. PMID: 33205060; PMCID: PMC7659604.