Basic information
- CAS
890655-80-8- Standard SMILES
CC(C)OCCn1c(=S)[nH]c(=O)c2[nH]ccc21- InChIKey
FVJCUZCRPIMVLB-UHFFFAOYSA-N- Molecular formula
- C11H15N3O2S
- Average molar mass
- 253.32 g/mol
- Monoisotopic mass
- 253.0884979
Overview
Verdiperstat has been used in trials studying the basic science and treatment of Multiple System Atrophy (MSA).
Names & identifiers
- Preferred name
- Verdiperstat
- IUPAC
- 1-(2-propan-2-yloxyethyl)-2-sulfanylidene-5H-pyrrolo[3,2-d]pyrimidin-4-one
- English name
- AZD 3241
- Molecular formula
- C11H15N3O2S
- Molecular weight
- 253.32
Names & synonyms
Verdiperstat890655-80-8AZD 3241AZD3241AZD-3241BHV-3241TT3345YXVR1-(2-Isopropoxyethyl)-2-thioxo-1,2,3,5-tetrahydropyrrolo(3,2-d)pyrimidin-4-one1-[2-(propan-2-yloxy)ethyl]-2-sulfanylidene-1H,2H,3H,4H,5H-pyrrolo[3,2-d]pyrimidin-4-oneverdiperstatum1-(2-propan-2-yloxyethyl)-2-sulfanylidene-5H-pyrrolo(2,3-e)pyrimidin-4-one1-(2-propan-2-yloxyethyl)-2-sulfanylidene-5H-pyrrolo[2,3-e]pyrimidin-4-one
Show more names
BDBM50AZD3242BCP30847GTPL10052
1-(2-(propan-2-yloxy)ethyl)-2-sulfanylidene-1H,2H,3H,4H,5H-pyrrolo(3,2-d)pyrimidin-4-oneRefChem:901804Verdiperstat [USAN]BHV-3421Verdiperstat (AZD3241)1-(2-Isopropoxyethyl)-2-thioxo-2,3-dihydro-1H-pyrrolo[3,2-d]pyrimidin-4(5H)-one1-(2-propan-2-yloxyethyl)-2-sulfanylidene-5H-pyrrolo[3,2-d]pyrimidin-4-one1-(2-Isopropoxyethyl)-2-thioxo-1,2,3,5-tetrahydro-pyrrolo[3,2-d]pyrimidin-4-one
Database identifiers
- CAS
890655-80-8
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 89.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 322
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- Density
- 1.34 · 1.34±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 10 mg/mL; · DMF: 10 mg/mL; DMSO: 10 mg/mL; Ethanol: 2 mg/mL
- form
- A solid
- pka
- 8.25 · 8.25±0.20(Predicted)
- color
- White to light brown
- FDA UNII
- 3345 YXVR · TT3345YXVR
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Applications
UsesVerdiperstat (AZD3241) is a selective, irreversible and orally active myeloperoxidase (MPO) inhibitor, with an IC50 of 630 nM, and can be used in the research of neurodegenerative brain disorders.
Suppliers50 total
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
深圳睿迅光电材料科技有限公司0755-26718755; 15889762949 · [email protected]
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
欧利希（湖北）医药科技有限公司17316404525 17316404525 · [email protected]
Advanced chemblocks inc650-6922368 650-6922368;650-6922368 · [email protected]
InvivoChem中国13549236410 · [email protected]
上海瀚香生物科技有限公司177-54423994 17754423994 · [email protected]
上海创赛科技有限公司400-6087598 15021221957 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海技毅生物科技有限公司
Related reactions
2 records
Compound notes
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