MedKoo Cat#: 522466 | Name: XMD8-85
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Description:

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

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

Chemical Structure

XMD8-85
XMD8-85
CAS#1234479-76-5

Theoretical Analysis

MedKoo Cat#: 522466

Name: XMD8-85

CAS#: 1234479-76-5

Chemical Formula: C25H29N7O2

Exact Mass: 459.2383

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
10mg USD 285.00 2 Weeks
25mg USD 450.00 2 Weeks
50mg USD 750.00 2 Weeks
1g USD 3,450.00
2g USD 5,850.00
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Related CAS #
No Data
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

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
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.