WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H407242
CAS#: 1147823-21-9
Description: SMDC818909 is a potent and selective p97 inhibitor. The IC50 value of SMDC818909 decreased with increasing ATP concentration (26.0 ± 0.9, 11.5 ± 0.9, and 4.9 ± 0.9 μM at 5, 20, and 100 μM ATP, respectively), indicating that it behaved primarily uncompetitively with the ATP substrate. SMDC818909 represents a novel uncompetitive inhibitor with excellent physical and pharmaceutical properties that can be used as a starting point for drug discovery efforts.
Hodoodo Cat#: H407242
Name: SMDC818909
CAS#: 1147823-21-9
Chemical Formula: C14H13N5O
Exact Mass: 267.11
Molecular Weight: 267.292
Elemental Analysis: C, 62.91; H, 4.90; N, 26.20; O, 5.99
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Synonym: SMDC818909; SMDC 818909; SMDC-818909.
IUPAC/Chemical Name: 3-amino-N-(2-methyl-1H-indol-5-yl)pyrazine-2-carboxamide
InChi Key: PJTNJJWGQNSQDQ-UHFFFAOYSA-N
InChi Code: InChI=1S/C14H13N5O/c1-8-6-9-7-10(2-3-11(9)18-8)19-14(20)12-13(15)17-5-4-16-12/h2-7,18H,1H3,(H2,15,17)(H,19,20)
SMILES Code: O=C(C1=NC=CN=C1N)NC2=CC3=C(NC(C)=C3)C=C2
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:
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The following data is based on the product molecular weight 267.29 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.
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: |
Allosteric Indole Amide Inhibitors of p97: Identification of a Novel Probe of the Ubiquitin Pathway Celeste Alverez†‡, Stacie L. Bulfer§, Ramappa Chakrasali∥, Michael. S. Chimenti§, Raymond J. Deshaies⊥, Neal Green#, Mark Kelly§, Matthew G. LaPorte‡, Taber S. Lewis‡, Mary Liang†‡, William J. Moore#, R. Jeffrey Neitz§, Vsevolod A. Peshkov‡, Michael A. Walters∥, Feng Zhang‡, Michelle R. Arkin*§, Peter Wipf*†‡, and Donna M. Huryn. ACS Med. Chem. Lett., Article ASAP; DOI: 10.1021/acsmedchemlett.5b00396. Publication Date (Web): December 22, 2015.