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Basic information
- CAS
195733-43-8- Standard SMILES
CCCCN(CCCC)C(=O)CN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)O)[C@@H]1c1ccc(OC)cc1.Cl- InChIKey
IJFUJIFSUKPWCZ-SQMFDTLJSA-N- Molecular formula
- C29H39ClN2O6
- Average molar mass
- 547.092 g/mol
- Monoisotopic mass
- 546.24966465
Names & identifiers
- Preferred name
- Atrasentan hydrochloride
- IUPAC
- (2R,3R,4S)-4-(2H-1,3-Benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid--hydrogen chloride (1/1)
- English name
- Atrasentan hydrochloride
- Molecular formula
- C29H38N2O6.ClH
- Molecular weight
- 547.08
Names & synonyms
Atrasentan HClABT627ABT 627ABT-627A 147627.1Abbott 147627Unii-E4G31X93zaABT-627 hydrochlorideA-147627 hydrochlorideAtrasentan hydrochloride
Database identifiers
- CAS
195733-43-8、2984284-99-1- PubChem CID
- 159595
- DTXSID
DTXSID20173240- ChEMBL
CHEMBL2106068- UNII
- 7D7JG7S7ZV、E4G31X93ZA
Properties
Physicochemical properties
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- solubility
- Soluble in DMSO
- form
- Powder
- color
- Off-white to gray
- InChIKey
- IJFUJIFSUKPWCZ-FZVADPAUNA-N
- SMILES
- C1(=CC2=C(OCO2)C=C1)[C@@H]1[C@@H](C(=O)O)[C@H](C2C=CC(OC)=CC=2)N(CC(N(CCCC)CCCC)=O)C1.Cl |&1:9,10,14,r|
- FDA UNII
- 4 G31X93ZA · E4G31X93ZA
- NCI Drug Dictionary
- atrasentan hydrochloride
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 77 · NA.77
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- WGK 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Applications
DescriptionAtrasentan Hydrochloride is the orally available hydrochloride salt of pyrrolidine-3-carboxylic acid with potential antineoplastic activity. As a selective antagonist of the endothelin-A (ETA) receptor, atrasentan binds selectively to the ETA receptor, which may result in inhibition of endothelin-induced angiogenesis and tumor cell proliferation.
UsesAtrasentan belongs to a pyrrolidine and benzodioxole derivative. It is a selective antagonist of the endothelin-A (ETA) receptor and binds selectively to the ETA receptor, which may result in the inhibition of endothelin-induced angiogenesis and tumor cell proliferation. Its potential therapeutic uses include the treatment of diabetic nephropathies and as an antineoplastic agent.
Suppliers93 total
北京华美互利生物化工010-56205725 · [email protected]
天津欣康佑生物科技有限公司19922659386 · [email protected]
BEIJING SJAR TECHNOLOGY DEVELOPMENT CO., LTD.+86-18600796368 · [email protected]
湖北威德利化学试剂有限公司181-6332-1995 18062128043 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
咸宁深蓝生物医药研发有限公司18171815831 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州摩库生物医药科技有限公司
Related reactions
3 records
Compound notes
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