XMD8-85
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    WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 522466

CAS#: 1234479-76-5

Description: XMD8-85, also known as ERK5-IN-1, exhibits potent inhibition of ERK5 and LRRK2.


Chemical Structure

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XMD8-85
CAS# 1234479-76-5

Theoretical Analysis

MedKoo Cat#: 522466
Name: XMD8-85
CAS#: 1234479-76-5
Chemical Formula: C25H29N7O2
Exact Mass: 459.23827
Molecular Weight: 459.55
Elemental Analysis: C, 65.34; H, 6.36; N, 21.34; O, 6.96

Price and Availability

Size Price Availability Quantity
5.0mg USD 215.0 2 Weeks
10.0mg USD 355.0 2 Weeks
25.0mg USD 590.0 2 Weeks
50.0mg USD 845.0 2 Weeks
1.0g USD 3450.0 2 Weeks
2.0g USD 5850.0 2 Weeks
5.0g USD 11950.0 2 Weeks
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Synonym: ERK5-IN-1; ERK5 IN 1; ERK5IN1; XMD8-85; XMD 8-85; XMD-8-85; XMD885; XMD 885; XMD-885;

IUPAC/Chemical Name: 6H-Pyrimido[4,5-b][1,4]benzodiazepin-6-one, 5,11-dihydro-2-[[2-methoxy-4-(4-methyl-1-piperazinyl)phenyl]amino]-5,11-dimethyl-

InChi Key: DDTPGANIPBKTNU-UHFFFAOYSA-N

InChi Code: InChI=1S/C25H29N7O2/c1-29-11-13-32(14-12-29)17-9-10-19(22(15-17)34-4)27-25-26-16-21-23(28-25)30(2)20-8-6-5-7-18(20)24(33)31(21)3/h5-10,15-16H,11-14H2,1-4H3,(H,26,27,28)

SMILES Code: O=C1N(C)C2=CN=C(NC3=CC=C(N4CCN(C)CC4)C=C3OC)N=C2N(C)C5=CC=CC=C15

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, 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 459.55 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: Deng X, Elkins JM, Zhang J, Yang Q, Erazo T, Gomez N, Choi HG, Wang J, Dzamko N, Lee JD, Sim T, Kim N, Alessi DR, Lizcano JM, Knapp S, Gray NS. Structural determinants for ERK5 (MAPK7) and leucine rich repeat kinase 2 activities of benzo[e]pyrimido-[5,4-b]diazepine-6(11H)-ones. Eur J Med Chem. 2013;70:758-67. doi: 10.1016/j.ejmech.2013.10.052. Epub 2013 Oct 29. PubMed PMID: 24239623; PubMed Central PMCID: PMC3914206.

XMD8-85

5.0mg / USD 215.0