MedKoo Cat#: 562238 | Name: CCX777
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Description:

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

CCX777 is a partial agonist of ACKR3 (also known as CXCR7).

Chemical Structure

CCX777
CAS#1226686-36-7

Theoretical Analysis

MedKoo Cat#: 562238

Name: CCX777

CAS#: 1226686-36-7

Chemical Formula: C31H43N7O3S

Exact Mass: 593.3148

Molecular Weight: 593.79

Elemental Analysis: C, 62.71; H, 7.30; N, 16.51; O, 8.08; S, 5.40

Price and Availability

Size Price Availability Quantity
5mg USD 750.00 2 Weeks
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Related CAS #
No Data
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

Preparing Stock Solutions

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.

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: 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.