WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H562238
CAS#: 1226686-36-7
Description: CCX777 is a partial agonist of ACKR3 (also known as CXCR7).
Hodoodo Cat#: H562238
Name: CCX777
CAS#: 1226686-36-7
Chemical Formula: C31H43N7O3S
Exact Mass: 593.31
Molecular Weight: 593.790
Elemental Analysis: C, 62.71; H, 7.30; N, 16.51; O, 8.08; S, 5.40
Synonym: CCX777; CCX-777; CCX 777;
IUPAC/Chemical Name: 3-[4-(7-Methoxy-quinolin-8-yl)-[1,4]diazepan-1-yl]-3-(2-morpholin-4-yl-thiazol-4-yl)-N-(2-pyrrolidin-1-yl-ethyl)-propionamide
InChi Key: PUPJAMOHYJWOKK-UHFFFAOYSA-N
InChi Code: InChI=1S/C31H43N7O3S/c1-40-27-8-7-24-6-4-9-33-29(24)30(27)37-14-5-13-36(16-17-37)26(22-28(39)32-10-15-35-11-2-3-12-35)25-23-42-31(34-25)38-18-20-41-21-19-38/h4,6-9,23,26H,2-3,5,10-22H2,1H3,(H,32,39)
SMILES Code: O=C(NCCN1CCCC1)CC(N2CCN(C3=C4N=CC=CC4=CC=C3OC)CCC2)C5=CSC(N6CCOCC6)=N5
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:
Biological target: | |
In vitro activity: | |
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The following data is based on the product molecular weight 593.79 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: |
1: Gustavsson M, Wang L, van Gils N, Stephens BS, Zhang P, Schall TJ, Yang S, Abagyan R, Chance MR, Kufareva I, Handel TM. Structural basis of ligand interaction with atypical chemokine receptor 3. Nat Commun. 2017 Jan 18;8:14135. doi: 10.1038/ncomms14135. PubMed PMID: 28098154; PubMed Central PMCID: PMC5253664.