URMC-099
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MedKoo CAT#: 510349

CAS#: 1229582-33-5

Description: URMC-099 is an orally bioavailable, brain penetrant mixed lineage kinase (MLK) inhibitor with IC50 of 19 nM, 42 nM, 14 nM, and 150 nM, for MLK1, MLK2, MLK3, and DLK, respectively. MLK3 activation is associated with many of the pathologic hallmarks of HAND and therefore represents a prime target for adjunctive therapy based on small-molecule kinase inhibition. In vitro, URMC-099 treatment reduced inflammatory cytokine production by HIV-1 Tat-exposed microglia and prevented destruction and phagocytosis of cultured neuronal axons by these cells.


Chemical Structure

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URMC-099
CAS# 1229582-33-5

Theoretical Analysis

MedKoo Cat#: 510349
Name: URMC-099
CAS#: 1229582-33-5
Chemical Formula: C27H27N5
Exact Mass: 421.22665
Molecular Weight: 421.55
Elemental Analysis: C, 76.93; H, 6.46; N, 16.61

Price and Availability

Size Price Availability Quantity
10.0mg USD 90.0 Same day
25.0mg USD 150.0 Same day
50.0mg USD 250.0 Same day
100.0mg USD 450.0 Same day
200.0mg USD 750.0 Same day
500.0mg USD 1650.0 Same day
1.0g USD 2950.0 Same day
2.0g USD 4950.0 Same day
5.0g USD 7950.0 Same day
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Synonym: URMC099, URMC 099, URMC-099

IUPAC/Chemical Name: 3-(1H-indol-5-yl)-5-(4-((4-methylpiperazin-1-yl)methyl)phenyl)-1H-pyrrolo[2,3-b]pyridine

InChi Key: QKKIWEILHCXECO-UHFFFAOYSA-N

InChi Code: InChI=1S/C27H27N5/c1-31-10-12-32(13-11-31)18-19-2-4-20(5-3-19)23-15-24-25(17-30-27(24)29-16-23)21-6-7-26-22(14-21)8-9-28-26/h2-9,14-17,28H,10-13,18H2,1H3,(H,29,30)

SMILES Code: CN1CCN(CC2=CC=C(C3=CN=C(NC=C4C5=CC6=C(NC=C6)C=C5)C4=C3)C=C2)CC1

Appearance: White to off-white 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, not in water

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

Preparing Stock Solutions

The following data is based on the product molecular weight 421.55 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

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1: Polesskaya O, Wong C, Lebron L, Chamberlain JM, Gelbard HA, Goodfellow V, Kim M, Daiss JL, Dewhurst S. MLK3 regulates fMLP-stimulated neutrophil motility. Mol Immunol. 2014 Apr;58(2):214-22. doi: 10.1016/j.molimm.2013.11.016. Epub 2014 Jan 3. PubMed PMID: 24389043; PubMed Central PMCID: PMC3946811.

2: Goodfellow VS, Loweth CJ, Ravula SB, Wiemann T, Nguyen T, Xu Y, Todd DE, Sheppard D, Pollack S, Polesskaya O, Marker DF, Dewhurst S, Gelbard HA. Discovery, synthesis, and characterization of an orally bioavailable, brain penetrant inhibitor of mixed lineage kinase 3. J Med Chem. 2013 Oct 24;56(20):8032-48. doi: 10.1021/jm401094t. Epub 2013 Oct 3. PubMed PMID: 24044867; PubMed Central PMCID: PMC4032177.

3: Marker DF, Tremblay MÈ, Puccini JM, Barbieri J, Gantz Marker MA, Loweth CJ, Muly EC, Lu SM, Goodfellow VS, Dewhurst S, Gelbard HA. The new small-molecule mixed-lineage kinase 3 inhibitor URMC-099 is neuroprotective and anti-inflammatory in models of human immunodeficiency virus-associated neurocognitive disorders. J Neurosci. 2013 Jun 12;33(24):9998-10010. doi: 10.1523/JNEUROSCI.0598-13.2013. PubMed PMID: 23761895; PubMed Central PMCID: PMC3682381.