ABT-702 HCl
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MedKoo CAT#: 524108

CAS#: 1188890-28-9 (HCl)

Description: ABT 702 Dihydrochloride is a potent non-nucleoside adenosine kinase inhibitor, selective over other sites of adenosine interaction like A1, A2A and A3 receptors, adenosine transporter and adenosine deaminase. It displays oral activity in animal models of pain and inflammation.


Chemical Structure

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ABT-702 HCl
CAS# 1188890-28-9 (HCl)

Theoretical Analysis

MedKoo Cat#: 524108
Name: ABT-702 HCl
CAS#: 1188890-28-9 (HCl)
Chemical Formula: C22H21BrCl2N6O
Exact Mass:
Molecular Weight: 536.25
Elemental Analysis: C, 49.27; H, 3.95; Br, 14.90; Cl, 13.22; N, 15.67; O, 2.98

Price and Availability

Size Price Availability Quantity
50.0mg USD 450.0 2 Weeks
100.0mg USD 750.0 2 Weeks
200.0mg USD 1250.0 2 Weeks
500.0mg USD 1950.0 2 Weeks
1.0g USD 2950.0 2 Weeks
2.0g USD 5450.0 2 Weeks
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Related CAS #: 214697-26-4 (free base)   1188890-28-9 (HCl)    

Synonym: ABT 702 Dihydrochloride; ABT 702; ABT-702; ABT702; ABT-702 HCl; ABT-702 hydrochloride

IUPAC/Chemical Name: 5-(3-bromophenyl)-7-(6-morpholinopyridin-3-yl)pyrido[2,3-d]pyrimidin-4-amine dihydrochloride

InChi Key: OOXNYFKPOPJIOT-UHFFFAOYSA-N

InChi Code: InChI=1S/C22H19BrN6O.2ClH/c23-16-3-1-2-14(10-16)17-11-18(28-22-20(17)21(24)26-13-27-22)15-4-5-19(25-12-15)29-6-8-30-9-7-29;;/h1-5,10-13H,6-9H2,(H2,24,26,27,28);2*1H

SMILES Code: BrC1=CC(C2=CC(C3=CC=C(N4CCOCC4)N=C3)=NC5=NC=NC(N)=C52)=CC=C1.[H]Cl.[H]Cl

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

Product Data:

Biological target: ABT-702 dihydrochloride is a potent adenosine kinase (AK) inhibitor (IC50=1.7 nM).
In vitro activity: To identify the AR subtype(s) involved in ABT 702 inhibitory effect on TNF-α release in the retinal microglia in response to AGA, this study examined the effect of the ABT 702 in the presence of AR subtype-selective antagonists. As shown in Fig. 9, cells pretreated with vehicle showed a significant increase in AGA-induced TNF-α release compared with vehicle-treated control cells. Treatment with ABT 702 at a concentration of 20 μM potently inhibited AGA-induced TNF-α release. Reference: Life Sci. 2013 Jul 30;93(2-3):78-88. https://pubmed.ncbi.nlm.nih.gov/23770229/
In vivo activity: Bath application of ABT-702 (3 μM) to the isolated neonatal rat spinal cord for 20 min gradually decreased sVRPs with a slight decline in MSRs, which were both rapidly recovered by 8CPT (3 μM), an adenosine A1 receptor antagonist (Fig. 1A). On the other hand, both sVRP and MSR inhibitions by ABT-702 were not affected by potent and selective adenosine A2A, A2B and A3 receptor antagonists, ZM241385 (0.1 μM), PSB1115 (0.1 μM) and VUF5574 (0.1 μM), respectively (Fig. 1C and D). Reference: Neuropharmacology. 2015 Oct;97:160-70. https://pubmed.ncbi.nlm.nih.gov/26066576/

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
Solubility
DMSO 66.67 124.33
Ethanol 3.0 5.59

Preparing Stock Solutions

The following data is based on the product molecular weight 536.25 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: 1. Elsherbiny NM, Ahmad S, Naime M, Elsherbini AM, Fulzele S, Al-Gayyar MM, Eissa LA, El-Shishtawy MM, Liou GI. ABT-702, an adenosine kinase inhibitor, attenuates inflammation in diabetic retinopathy. Life Sci. 2013 Jul 30;93(2-3):78-88. doi: 10.1016/j.lfs.2013.05.024. Epub 2013 Jun 12. PMID: 23770229. 2. Otsuguro K, Tomonari Y, Otsuka S, Yamaguchi S, Kon Y, Ito S. An adenosine kinase inhibitor, ABT-702, inhibits spinal nociceptive transmission by adenosine release via equilibrative nucleoside transporters in rat. Neuropharmacology. 2015 Oct;97:160-70. doi: 10.1016/j.neuropharm.2015.05.035. Epub 2015 Jun 9. PMID: 26066576. 3. Elsherbiny NM, Ahmad S, Naime M, Elsherbini AM, Fulzele S, Al-Gayyar MM, Eissa LA, El-Shishtawy MM, Liou GI. ABT-702, an adenosine kinase inhibitor, attenuates inflammation in diabetic retinopathy. Life Sci. 2013 Jul 30;93(2-3):78-88. doi: 10.1016/j.lfs.2013.05.024. Epub 2013 Jun 12. PMID: 23770229.
In vitro protocol: 1. Elsherbiny NM, Ahmad S, Naime M, Elsherbini AM, Fulzele S, Al-Gayyar MM, Eissa LA, El-Shishtawy MM, Liou GI. ABT-702, an adenosine kinase inhibitor, attenuates inflammation in diabetic retinopathy. Life Sci. 2013 Jul 30;93(2-3):78-88. doi: 10.1016/j.lfs.2013.05.024. Epub 2013 Jun 12. PMID: 23770229.
In vivo protocol: 1. Otsuguro K, Tomonari Y, Otsuka S, Yamaguchi S, Kon Y, Ito S. An adenosine kinase inhibitor, ABT-702, inhibits spinal nociceptive transmission by adenosine release via equilibrative nucleoside transporters in rat. Neuropharmacology. 2015 Oct;97:160-70. doi: 10.1016/j.neuropharm.2015.05.035. Epub 2015 Jun 9. PMID: 26066576. 2. Elsherbiny NM, Ahmad S, Naime M, Elsherbini AM, Fulzele S, Al-Gayyar MM, Eissa LA, El-Shishtawy MM, Liou GI. ABT-702, an adenosine kinase inhibitor, attenuates inflammation in diabetic retinopathy. Life Sci. 2013 Jul 30;93(2-3):78-88. doi: 10.1016/j.lfs.2013.05.024. Epub 2013 Jun 12. PMID: 23770229.

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