CAS 35838-58-5|1-Ethyl-4-[(1-methylethylidene)hydrazino]1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid ethyl ester hydrochloride|SQ 20009|etazolate hydrochloride|Etazolate hydrochloride|ethyl 1-ethyl-...

Molecular Formula

C₁₄H₂₀ClN₅O₂

Molecular Mass

325.7939

Exact Mass

325.13055259

InChI

InChI=1S/C14H19N5O2.ClH/c1-5-19-13-10(8-16-19)12(18-17-9(3)4)11(7-15-13)14(20)21-6-2;/h7-8H,5-6H2,1-4H3,(H,15,18);1H

InChIKey

GQJUGJHJUZSJLZ-UHFFFAOYSA-N

Canonic Smiles

CCOC(=O)c1cnc2c(c1NN=C(C)C)cnn2CC.Cl

Isomeric Smiles

CCn1c2c(cn1)c(c(cn2)C(=O)OCC)NN=C(C)C.Cl

JChem

Acid pKa

13.756224

H Acceptors

H Donor

LogD (pH = 5.5)

2.0902715

LogD (pH = 7.4)

2.1590333

Log P

2.1847649

Molar Refractivity

92.4818

Polarizability

30.352547

Polar Surface Area

81.4

Rotatable Bonds

Lipinski's Rule of Five

true

Academic Data

Commercial Catalog

Synonyms

1-Ethyl-4-[(1-methylethylidene)hydrazino]1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid ethyl ester hydrochlorideSQ 20009Etazolate hydrochloride

IUPAC Traditional name

etazolate hydrochloride

IUPAC name

ethyl 1-ethyl-4-[2-(propan-2-ylidene)hydrazin-1-yl]-1H-pyrazolo[3,4-b]pyridine-5-carboxylate hydrochloride

MDL Number

MFCD00209848

CAS Number

35838-58-5

PubChem SID

24278825162226965

Safety Information

German water hazard class

GHS Signal Word

Warning

GHS Hazard statements

H315-H319-H335

Risk Statements

36/37/38

European Hazard Symbols

Irritant (Xi)

GHS Precautionary statements

P261-P305+P351+P338

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Safety Statements

26-36

GHS Pictograms

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

Pharmacology Properties

Gene Information

human ... PRKAR1A(5573), PRKAR1AP(5574), PRKAR1B(5575), PRKAR2A(5576), PRKAR2B(5577)

Physical Property

Solubility

H2O: >20 mg/mL (Solutions should be freshly prepared.)

Apperance

white solid

No Data Available

Click here to submit data

No Data Available

Click here to submit data

Sigma Aldrich

E1896

Biochem/physiol Actions
Selective inhibitor of cAMP-specific phosphodiesterase.

No Data Available

Click here to submit data

Academic Data

Commercial Catalog

Synonyms

1-Ethyl-4-[(1-methylethylidene)hydrazino]1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid ethyl ester hydrochlorideSQ 20009Etazolate hydrochloride

IUPAC Traditional name

etazolate hydrochloride

IUPAC name

ethyl 1-ethyl-4-[2-(propan-2-ylidene)hydrazin-1-yl]-1H-pyrazolo[3,4-b]pyridine-5-carboxylate hydrochloride

MDL Number

MFCD00209848

CAS Number

35838-58-5

PubChem SID

24278825162226965

Safety Information

German water hazard class

GHS Signal Word

Warning

GHS Hazard statements

H315-H319-H335

Risk Statements

36/37/38

European Hazard Symbols

Irritant (Xi)

GHS Precautionary statements

P261-P305+P351+P338

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Safety Statements

26-36

GHS Pictograms

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

Pharmacology Properties

Gene Information

human ... PRKAR1A(5573), PRKAR1AP(5574), PRKAR1B(5575), PRKAR2A(5576), PRKAR2B(5577)

Physical Property

Solubility

H2O: >20 mg/mL (Solutions should be freshly prepared.)

Apperance

white solid

Sigma Aldrich

E1896

Biochem/physiol Actions
Selective inhibitor of cAMP-specific phosphodiesterase.

No Data Available

Click here to submit data

Molecule

ID:132688