Autotaxin inhibitor compound 1

Modify Date: 2025-08-23 11:49:42

Autotaxin inhibitor compound 1 Structure
Autotaxin inhibitor compound 1 structure
Common Name Autotaxin inhibitor compound 1
CAS Number 1619971-30-0 Molecular Weight 405.45
Density N/A Boiling Point N/A
Molecular Formula C21H23N7O2 Melting Point N/A
MSDS N/A Flash Point N/A

 Use of Autotaxin inhibitor compound 1


Autotaxin-IN-1 is a potent autotaxin inhibitor, which has favorable potency (IC50=2.2 nM), PK properties, and a robust PK/PD relationship. Autotaxin-IN-1 is used in treatment of osteoarthritis pain[1].

 Names

Name Autotaxin-IN-1

 Autotaxin inhibitor compound 1 Biological Activity

Description Autotaxin-IN-1 is a potent autotaxin inhibitor, which has favorable potency (IC50=2.2 nM), PK properties, and a robust PK/PD relationship. Autotaxin-IN-1 is used in treatment of osteoarthritis pain[1].
Related Catalog
Target

Autotaxin:2 nM (IC50)

In Vivo Autotaxin-IN-1 (i.v.; 1.0mg/kg) has T1/2 of 1.14 hours[1]. Autotaxin-IN-1 (p.o.; 10 mg/kg) has Cmax of 660 nM and AUC of 3440 nM•h[1]. Animal Model: Normal rat[1] Dosage: 1.0 mg/kg, 10 mg/kg (Pharmacokinetic Study) Administration: I.v. (1.0 mg/kg); p.o. (10 mg/kg) Result: Has T1/2 of 1.14 hours (i.v.; 1.0mg/kg). Has Cmax of 660 nM and AUC of 3440 nM▪h (p.o.; 10 mg/kg).
References

[1]. Jones SB, et al. Novel Autotaxin Inhibitors for the Treatment of Osteoarthritis Pain: Lead Optimization via Structure-Based Drug Design. ACS Med Chem Lett. 2016 Aug 2;7(9):857-61.

 Chemical & Physical Properties

Molecular Formula C21H23N7O2
Molecular Weight 405.45
InChIKey ILOFWCAZDNILKY-UHFFFAOYSA-N
SMILES O=C(COCCc1cn[nH]n1)N1Cc2cnc(NC3Cc4ccccc4C3)nc2C1
Storage condition -20°C
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