MedKoo Cat#: 524235 | Name: AP-22161

Description:

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

AP-22161 selectively binds to the Src SH2 domain by targeting a cysteine residue within the highly conserved phosphotyrosine-binding pocket. AP-22161 compound can selectively inhibit Src SH2 binding can be used to inhibit osteoclast resorption. Furthermore, AP22161 has the potential to be further developed for treating osteoporosis.

Chemical Structure

AP-22161
AP-22161
CAS#268741-42-0

Theoretical Analysis

MedKoo Cat#: 524235

Name: AP-22161

CAS#: 268741-42-0

Chemical Formula: C32H39N3O7

Exact Mass: 577.2788

Molecular Weight: 577.67

Elemental Analysis: C, 66.53; H, 6.80; N, 7.27; O, 19.39

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 #
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Synonym
AP-22161; AP 22161; AP22161; SCHEMBL7243003; G7VE62573J; UNII-G7VE62573J;
IUPAC/Chemical Name
4-[(2S)-2-acetamido-3-[[(5S)-3-carbamoyl-2-(cyclohexylmethoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]amino]-3-oxopropyl]-2-formylbenzoic acid
InChi Key
MXUORUPLQRGMFJ-UHFFFAOYSA-N
InChi Code
InChI=1S/C32H39N3O7/c1-19(37)34-28(14-21-11-12-24(32(40)41)23(13-21)17-36)31(39)35-27-10-6-5-9-22-15-29(26(30(33)38)16-25(22)27)42-18-20-7-3-2-4-8-20/h11-13,15-17,20,27-28H,2-10,14,18H2,1H3,(H2,33,38)(H,34,37)(H,35,39)(H,40,41)
SMILES Code
CC(=O)NC(CC1=CC(=C(C=C1)C(=O)O)C=O)C(=O)NC2CCCCC3=C2C=C(C(=C3)OCC4CCCCC4)C(=O)N
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, not in water
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

Preparing Stock Solutions

The following data is based on the product molecular weight 577.67 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: Violette SM, Shakespeare WC, Bartlett C, Guan W, Smith JA, Rickles RJ, Bohacek RS, Holt DA, Baron R, Sawyer TK. A Src SH2 selective binding compound inhibits osteoclast-mediated resorption. Chem Biol. 2000 Mar;7(3):225-35. PubMed PMID: 10712930.