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
Instruction

Theoretical Analysis

MedKoo Cat#: 522466
Name: XMD8-85
CAS#: 1234479-76-5
Chemical Formula: C25H29N7O2
Exact Mass: 459.24
Molecular Weight: 459.550
Elemental Analysis: C, 65.34; H, 6.36; N, 21.34; O, 6.96

Price and Availability

Size Price Availability Quantity
10mg USD 285 2 Weeks
25mg USD 450 2 Weeks
50mg USD 750 2 Weeks
1g USD 3450
2g USD 5850
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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

More Info:

Biological target:
In vitro activity:
In vivo activity:

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
Formulation protocol:
In vitro protocol:
In vivo protocol:

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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.