ACT-1004-1239

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

MedKoo CAT#: 463636

CAS#: 2178049-58-4

Description: ACT-1004-1239 is a potent, insurmountable antagonist. Oral administration of ACT-1004-1239 in mice up to 100 mg/kg led to a dose-dependent increase of plasma CXCL12 concentration.


Chemical Structure

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ACT-1004-1239
CAS# 2178049-58-4

Theoretical Analysis

MedKoo Cat#: 463636
Name: ACT-1004-1239
CAS#: 2178049-58-4
Chemical Formula: C27H28F2N6O3
Exact Mass: 522.22
Molecular Weight: 522.557
Elemental Analysis: C, 62.06; H, 5.40; F, 7.27; N, 16.08; O, 9.19

Price and Availability

This product is not in stock, which may be available by custom synthesis. For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge). Quote less than 1g will not be provided. To request quote, please email to sales @medkoo.com or click below button.
Note: Price will be listed if it is available in the future.

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Synonym: ACT-1004-1239; ACT1004-1239; ACT 1004-1239; ACT-10041239; ACT-1004 1239; ACT10041239; ACT 1004 1239;

IUPAC/Chemical Name: N-((3S,4S)-1-(cyclopropylmethyl)-3-((1-(pyrimidin-2-yl)cyclopropyl)carbamoyl)piperidin-4-yl)-5-(2,4-difluorophenyl)isoxazole-3-carboxamide

InChi Key: IIDSHAJKXPUYSL-FPOVZHCZSA-N

InChi Code: InChI=1S/C27H28F2N6O3/c28-17-4-5-18(20(29)12-17)23-13-22(34-38-23)25(37)32-21-6-11-35(14-16-2-3-16)15-19(21)24(36)33-27(7-8-27)26-30-9-1-10-31-26/h1,4-5,9-10,12-13,16,19,21H,2-3,6-8,11,14-15H2,(H,32,37)(H,33,36)/t19-,21-/m0/s1

SMILES Code: O=C([C@@H]1[C@@H](NC(C2=NOC(C3=C(F)C=C(F)C=C3)=C2)=O)CCN(CC4CC4)C1)NC5(CC5)C6=NC=CC=N6

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:

Biological target:
In vitro activity:
In vivo activity:

Preparing Stock Solutions

The following data is based on the product molecular weight 522.56 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
Formulation protocol:
In vitro protocol:
In vivo protocol:

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1: Richard-Bildstein S, Aissaoui H, Pothier J, Schäfer G, Gnerre C, Lindenberg E, Lehembre F, Pouzol L, Guerry P. Discovery of the Potent, Selective, Orally Available CXCR7 Antagonist ACT-1004-1239. J Med Chem. 2020 Dec 14. doi: 10.1021/acs.jmedchem.0c01588. Epub ahead of print. PMID: 33314938.