Basic information
- CAS
74550-97-3- Standard SMILES
O=C1CN(CCN2CC(=O)N(CN3CCOCC3)C(=O)C2)CC(=O)N1CN1CCOCC1- InChIKey
JGQGCJKPBAYEHO-UHFFFAOYSA-N- Molecular formula
- C20H32N6O6
- Average molar mass
- 452.5 g/mol
- Monoisotopic mass
- 452.23833276
Overview
structure given in first source
Names & identifiers
- Preferred name
- Bimolane
- IUPAC
- 1-(morpholin-4-ylmethyl)-4-[2-[4-(morpholin-4-ylmethyl)-3,5-dioxopiperazin-1-yl]ethyl]piperazine-2,6-dione
- English name
- Bimolane
- Molecular formula
- C20H32N6O6
- Molecular weight
- 452.5
Names & synonyms
Bimolane74550-97-3AT-172725O7OKR3151,2-Bis(4-morpholinomethyl-3,5-dixoxpiperazinyl)ethaneNSC-351358DTXSID50225549RefChem:119827DTXCID301480401-(morpholin-4-ylmethyl)-4-[2-[4-(morpholin-4-ylmethyl)-3,5-dioxopiperazin-1-yl]ethyl]piperazine-2,6-dioneAT1727;AT 1727;Bimolane; NSC 3513584,4'-(ethane-1,2-diyl)bis(1-(morpholinomethyl)piperazine-2,6-dione)
Show more names
4,4'-Ethylenebis[1-(morpholinomethyl)-2,6-piperazinedione]2,6-Piperazinedione, 4,4'-(1,2-ethanediyl)bis[1-(4-morpholinylmethyl)-psoriasis,anti-neoplastic agent,Bimolane,Inhibitor,lymphocytes,AT1727,chromosomal aberration,Topoisomerase,leukemogenic,inhibit,AT-1727,AT 1727
CCRIS 7574NSC 351358UNII-25O7OKR3154,4'-(1,2-Ethanediyl)bis[1-(4-morpholinylmethyl)-2,6-piperazinedione]; AT 1727; NSC 351358;1,2-Bis(4-morpholinomethyl-3,5-dioxopiperazinyl)-ethane4,4'-Ethylenebis(1-(morpholinomethyl)-2,6-piperazinedione)4,4'-(1,2-Ethanediyl)bis(1-(4-morpholinylmethyl)-2,6-piperazinedione)CHEMBL488455
Properties
Computed structural properties
- XLogP
- -1.9
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 627
Physicochemical properties
- Boiling point
- 679.2 · 679.2±55.0 °C(Predicted)
- Density
- 1.326 · 1.326±0.06 g/cm3(Predicted)
- storage temp.
- Refrigerator
- solubility
- Chloroform (Slightly)
- pka
- 5.51 · 5.51±0.10(Predicted)
- form
- Solid
- color
- White to Off-White
- FDA UNII
- 25 O7OKR315 · 25O7OKR315
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Substances that inhibit or prevent the proliferation of NEOPLASMS.
Drugs used to potentiate the effectiveness of radiation therapy in destroying unwanted cells.
Applications
UsesBimolane is a catalytic inhibitors of topoisomerase II and has been used for the treatment of cancer, psoriasis and uveitis in humans.
Suppliers20 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
InvivoChem中国13549236410 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
北京博奥森生物技术有限公司400-901-9800 18611424007 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
上海昶衍化工科技有限公司021-20242659 18930833303 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
四川省维克奇生物科技有限公司028-81700200 18116577057 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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