MedKoo Cat#: 564650 | Name: Autotaxin-IN-1

Description:

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

Autotaxin-IN-1 is a potent inhibitor of autotaxin.

Chemical Structure

Autotaxin-IN-1
Autotaxin-IN-1
CAS#1619971-30-0

Theoretical Analysis

MedKoo Cat#: 564650

Name: Autotaxin-IN-1

CAS#: 1619971-30-0

Chemical Formula: C21H23N7O2

Exact Mass: 405.1913

Molecular Weight: 405.46

Elemental Analysis: C, 62.21; H, 5.72; N, 24.18; O, 7.89

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Synonym
Autotaxin IN-1; Autotaxin IN 1; Autotaxin-IN 1; Autotaxin-IN-1
IUPAC/Chemical Name
1-[2-(Indan-2-ylamino)-5,7-dihydro-pyrrolo[3,4-d]pyrimidin-6-yl]-2-[2-(1H-[1,2,3]triazol-4-yl)-ethoxy]-ethanone
InChi Key
ILOFWCAZDNILKY-UHFFFAOYSA-N
InChi Code
InChI=1S/C21H23N7O2/c29-20(13-30-6-5-17-10-23-27-26-17)28-11-16-9-22-21(25-19(16)12-28)24-18-7-14-3-1-2-4-15(14)8-18/h1-4,9-10,18H,5-8,11-13H2,(H,22,24,25)(H,23,26,27)
SMILES Code
O=C(N1CC2=NC(NC3CC4=C(C=CC=C4)C3)=NC=C2C1)COCCC5=CNN=N5
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
Shelf Life
>3 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
2934.99.03.00
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 405.46 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: Naz S, Kolmert J, Yang M, Reinke SN, Kamleh MA, Snowden S, Heyder T, Levänen B, Erle DJ, Sköld CM, Wheelock ÅM, Wheelock CE. Metabolomics analysis identifies sex-associated metabotypes of oxidative stress and the autotaxin-lysoPA axis in COPD. Eur Respir J. 2017 Jun 22;49(6). pii: 1602322. doi: 10.1183/13993003.02322-2016. Print 2017 Jun. PubMed PMID: 28642310; PubMed Central PMCID: PMC5898938.