ML-339
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Hodoodo CAT#: H407416

CAS#: 2579689-83-9 (free base)

Description: ML-339 is a potent and selective hCXCR6 antagonist (IC50 = 140 nM).

Chemical Structure

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ML-339
CAS# 2579689-83-9 (free base)
Instruction

Theoretical Analysis

Hodoodo Cat#: H407416
Name: ML-339
CAS#: 2579689-83-9 (free base)
Chemical Formula: C26H32ClN3O5
Exact Mass: 501.20
Molecular Weight: 502.008
Elemental Analysis: C, 62.21; H, 6.43; Cl, 7.06; N, 8.37; O, 15.94

Price and Availability

Size Price Availability Quantity
50mg USD 550 2 Weeks
100mg USD 950 2 Weeks
200mg USD 1650 2 Weeks
500mg USD 3650 2 Weeks
1g USD 5450 2 Weeks
2g USD 8950 2 Weeks
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Related CAS #: 2579689-83-9 (free base)   2080300-49-6 (deleted)  

Synonym: ML-339; ML 339; ML339.

IUPAC/Chemical Name: N-((1R,3s,5S)-9-(2-((2-chlorophenyl)amino)-2-oxoethyl)-9-azabicyclo[3.3.1]nonan-3-yl)-3,4,5-trimethoxybenzamide

InChi Key: SSPYAPRDKNCABY-LDLYASANSA-N

InChi Code: InChI=1S/C26H32ClN3O5/c1-33-22-11-16(12-23(34-2)25(22)35-3)26(32)28-17-13-18-7-6-8-19(14-17)30(18)15-24(31)29-21-10-5-4-9-20(21)27/h4-5,9-12,17-19H,6-8,13-15H2,1-3H3,(H,28,32)(H,29,31)/t17-,18-,19+

SMILES Code: O=C(N[C@@H]1C[C@H](N2CC(NC3=CC=CC=C3Cl)=O)CCC[C@H]2C1)C4=CC(OC)=C(OC)C(OC)=C4

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:
In vivo activity:

Preparing Stock Solutions

The following data is based on the product molecular weight 502.01 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: Hershberger PM, Peddibhotla S, Sugarman E, Maloney P, Key D, Suyama E, Nguyen
K, Vasile S, Kraft M, Stonich D, Mangravita-Novo A, Vicchiarelli M, Gosalia P,
Milewski M, Li L, Hedrick M, Sun Q, Sergienko E, Cheltsov A, Salanawil S, Diwan
J, Smith LH, Taichman RS, Chung TDY, Pinkerton AB, Malany S, Roth GP. Probing the
CXCR6/CXCL16 Axis: Targeting Prevention of Prostate Cancer Metastasis. 2012 Dec
15 [updated 2014 May 13]. Probe Reports from the NIH Molecular Libraries Program
[Internet]. Bethesda (MD): National Center for Biotechnology Information (US);
2010-. Available from http://www.ncbi.nlm.nih.gov/books/NBK158948/
PubMed PMID: 24049849.