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MedKoo Cat#: 563399 | Name: ML604086
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Description:

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

ML604086 is a selective inhibitor of chemokine receptor CCR8.

Chemical Structure

ML604086
ML604086
CAS#850330-18-6

Theoretical Analysis

MedKoo Cat#: 563399

Name: ML604086

CAS#: 850330-18-6

Chemical Formula: C27H32N4O4S

Exact Mass: 508.2140

Molecular Weight: 508.64

Elemental Analysis: C, 63.76; H, 6.34; N, 11.02; O, 12.58; S, 6.30

Price and Availability

Size Price Availability Quantity
5mg USD 390.00 2 weeks
10mg USD 645.00 2 weeks
25mg USD 1,200.00 2 weeks
50mg USD 2,200.00 2 weeks
100mg USD 4,000.00 2 weeks
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Related CAS #
No Data
Synonym
ML604086; ML-604086; ML 604086;
IUPAC/Chemical Name
N-[4-[[[(3R,4R)-1-[(2S)-2-Amino-1-oxopropyl]-3-methyl-4-piperidinyl]amino]sulfonyl]-1-naphthalenyl]-2-methyl-benzamide
InChi Key
FABRBEGQMXBELT-SELNLUPBSA-N
InChi Code
InChI=1S/C27H32N4O4S/c1-17-8-4-5-9-20(17)26(32)29-24-12-13-25(22-11-7-6-10-21(22)24)36(34,35)30-23-14-15-31(16-18(23)2)27(33)19(3)28/h4-13,18-19,23,30H,14-16,28H2,1-3H3,(H,29,32)/t18-,19+,23-/m1/s1
SMILES Code
O=C(NC1=C2C=CC=CC2=C(S(=O)(N[C@H]3[C@H](C)CN(C([C@@H](N)C)=O)CC3)=O)C=C1)C4=CC=CC=C4C
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
2934.99.03.00
More Info
Product Data
Product Data
Instruction
View handling instruction
Biological target:
ML604086 is a selective CCR8 inhibitor, inhibiting CCL1 binding to CCR8 on circulating T-cells.
In vitro activity:
TBD
In vivo activity:
ML604086 and vehicle were administered by intravenous infusion to 12 cynomolgus monkeys during airway challenge with Ascaris suum. ML604086 inhibited CCL1 binding to CCR8 on circulating T-cells>98% throughout the duration of the study. Reference: Thorax. 2013 Jun;68(6):506-12. https://pubmed.ncbi.nlm.nih.gov/23457038/
Solvent mg/mL mM comments
Solubility
DMSO 120.0 235.92
Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

The following data is based on the product molecular weight 508.64 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:
Wang L, Jenkins TJ, Dai M, Yin W, Pulido JC, Lamantia-Martin E, Hodge MR, Ocain T, Kolbeck R. Antagonism of chemokine receptor CCR8 is ineffective in a primate model of asthma. Thorax. 2013 Jun;68(6):506-12. doi: 10.1136/thoraxjnl-2012-203012. Epub 2013 Mar 1. PMID: 23457038.
In vitro protocol:
TBD
In vivo protocol:
Wang L, Jenkins TJ, Dai M, Yin W, Pulido JC, Lamantia-Martin E, Hodge MR, Ocain T, Kolbeck R. Antagonism of chemokine receptor CCR8 is ineffective in a primate model of asthma. Thorax. 2013 Jun;68(6):506-12. doi: 10.1136/thoraxjnl-2012-203012. Epub 2013 Mar 1. PMID: 23457038.
1: Wang L, Jenkins TJ, Dai M, Yin W, Pulido JC, Lamantia-Martin E, Hodge MR, Ocain T, Kolbeck R. Antagonism of chemokine receptor CCR8 is ineffective in a primate model of asthma. Thorax. 2013 Jun;68(6):506-12. doi: 10.1136/thoraxjnl-2012-203012. Epub 2013 Mar 1. PubMed PMID: 23457038.