6-Chloro-N-[(1S)-1-(2-fluorophenyl)ethyl]-1-{5-O-[hydroxy(phosphonomethyl)phosphoryl]-beta-D-ribofuranosyl}-1H-pyrazolo[3,4-b]pyridin-4-amine

Basic Information

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CAS Number

2105904-82-1

Molecular Formula

C20H24ClFN4O9P2

Molecular Weight

580.83 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Insecticides

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Boiling Point

867.0±75.0 °C(Predicted)

Density

1.86±0.1 g/cm3(Predicted)

Solubility

DMSO : 200 mg/mL (344.34 mM; Need ultrasonic)

SMILES

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C[C@H](NC1=CC(Cl)=NC2=C1C=NN2[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O)C1=CC=CC=C1F

InChI

InChI=1S/C20H24ClFN4O9P2/c1-10(11-4-2-3-5-13(11)22)24-14-6-16(21)25-19-12(14)7-23-26(19)20-18(28)17(27)15(35-20)8-34-37(32,33)9-36(29,30)31/h2-7,10,15,17-18,20,27-28H,8-9H2,1H3,(H,24,25)(H,32,33)(H2,29,30,31)/t10-,15+,17+,18+,20+/m0/s1

InChIKey

MFYLCAMJNGIULC-KCVUFLITSA-N

LogP

2.353300000000001

pKa

1.62±0.10(Predicted)

Topological Polar Surface Area

196.48999999999998 Å²

Hydrogen Bond Donor/Acceptor

6 / 13

Complexity

893

Synonyms & References

English

AB 680)
AB680 (AB-680
CD73 inhibitor AB-680
Inhibitor,AB680,CD73,inhibit,AB 680,AB-680
1H-Pyrazolo[3,4-b]pyridin-4-amine, 6-chloro-N-[(1S)-1-(2-fluorophenyl)ethyl]-1-[5-O-[hydroxy(phosphonomethyl)phosphinyl]-β-D-ribofuranosyl]-
J6K8WSV73A
GTPL10707
AB680
[[(2R,3S,4R,5R)-5-[6-chloro-4-[[(1S)-1-(2-fluorophenyl)ethyl]amino]pyrazolo[3,4-b]pyridin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid
(((((2R,3S,4R,5R)-5-(6-chloro-4-(((S)-1-(2-fluorophenyl)ethyl)amino)-1H-pyrazolo[3,4-b]pyridin-1-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)methyl)phosphonic acid
CID 130205852
AB-680

FAQ

What is 6-Chloro-N-[(1S)-1-(2-fluorophenyl)ethyl]-1-{5-O-[hydroxy(phosphonomethyl)phosphoryl]-beta-D-ribofuranosyl}-1H-pyrazolo[3,4-b]pyridin-4-amine (CAS: 2105904-82-1)?

6-Chloro-N-[(1S)-1-(2-fluorophenyl)ethyl]-1-{5-O-[hydroxy(phosphonomethyl)phosphoryl]-beta-D-ribofuranosyl}-1H-pyrazolo[3,4-b]pyridin-4-amine is a complex organic compound with a unique chemical structure. It features a pyrazolo[3,4-b]pyridine ring system with a 6-chloro substitution, an amino group, and a ribofuranosyl-phosphonate group. This compound is typically used in specialized pharmaceutical research and development.

What are the main uses of 6-Chloro-N-[(1S)-1-(2-fluorophenyl)ethyl]-1-{5-O-[hydroxy(phosphonomethyl)phosphoryl]-beta-D-ribofuranosyl}-1H-pyrazolo[3,4-b]pyridin-4-amine (CAS: 2105904-82-1)?

This compound is primarily used in research and development for new pharmaceuticals. It may also have potential applications in targeted drug delivery systems and as a component in certain chemical syntheses.

Is 6-Chloro-N-[(1S)-1-(2-fluorophenyl)ethyl]-1-{5-O-[hydroxy(phosphonomethyl)phosphoryl]-beta-D-ribofuranosyl}-1H-pyrazolo[3,4-b]pyridin-4-amine (CAS: 2105904-82-1) safe?

While this compound is safe under proper handling conditions, it requires strict safety measures. Users should wear appropriate personal protective equipment and follow all laboratory safety protocols. Safe storage and handling are essential to prevent exposure or inhalation.

How should 6-Chloro-N-[(1S)-1-(2-fluorophenyl)ethyl]-1-{5-O-[hydroxy(phosphonomethyl)phosphoryl]-beta-D-ribofuranosyl}-1H-pyrazolo[3,4-b]pyridin-4-amine (CAS: 2105904-82-1) be stored?

This compound should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent degradation. Proper disposal methods should be followed according to local regulations.