Basic information
- CAS
30195-30-3- Standard SMILES
O=C1CN=C(c2ccc[nH]2)c2cc(Cl)ccc2N1- InChIKey
XWNMORIHKRROGW-UHFFFAOYSA-N- Molecular formula
- C13H10ClN3O
- Average molar mass
- 259.69 g/mol
- Monoisotopic mass
- 259.0512396
Overview
Ro 5-3335 is a 1,4-benzodiazepinone that is nordazepam in which the phenyl substituent has been replaced by a 1H-pyrrol-2-yl group. It inhibits gene expression in HIV-1 at the transcriptional level through interference with Tat-mediated transactivation. It has a role as a RUNX1 inhibitor, a HIV-1 Tat inhibitor, an antineoplastic agent and an anti-HIV-1 agent. It is a member of pyrroles, a 1,4-benzodiazepinone and an organochlorine compound.
Names & identifiers
- Preferred name
- 7-Chloro-1,3-dihydro-5-(1H-pyrrol-2-yl)-2H-1,4-benzodiazepin-2-one
- IUPAC
- 7-chloro-5-(1H-pyrrol-2-yl)-1,3-dihydro-1,4-benzodiazepin-2-one
- English name
- Ro 5-3335
- Molecular formula
- C13H10ClN3O
- Molecular weight
- 259.69
Names & synonyms
30195-30-3Ro 5-33357-Chloro-1,3-dihydro-5-(1H-pyrrol-2-yl)-2H-1,4-benzodiazepin-2-oneDLH4T68L7I2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3-dihydro-5-(1H-pyrrol-2-yl)-CHEBI:131785DTXSID20184270RefChem:914261DTXCID30106761Ro5-3335Ro-5-33357-chloro-5-(1H-pyrrol-2-yl)-1,3-dihydro-1,4-benzodiazepin-2-one
Show more names
Ro5-3335 ，E1245CBFβ-Runx1 inhibitor II7-Chloro-5-(1H-pyrrol-2-yl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one7-Chloro-2-oxo-5-(1H-pyrrol-2-yl)-2,3-dihydro-1H-1,4-benzodiazepineRo5-3335,Ro53335,CBFβ,inhibit,binding,Ro-5-3335,core,RUNX1,RUNX1-CBFB,factor,CBF,interaction,leukemia,Inhibitor,Ro5 3335
7-chloro-5-(1H-pyrrol-2-yl)-1H-benzo[e][1,4]diazepin-2(3H)-oneMFCD00870704NSC-66020CHEMBL91609MLS0007367307-Chloro-5-(2-pyrryl)-3H-1,4-benzodiazepin-2(H)-oneNSC66020NSC 66020
Database identifiers
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 57.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 371
Experimental & physicochemical properties
LogP2.59
Physicochemical properties
- Melting point
- 256 °C · 256 °C(dec.)
- solubility
- 100 mM · Soluble to 100 mM in DMSO
- form
- powder to crystal
- color
- White to Light red to Green
- FDA UNII
- 4 T68L7I · DLH4T68L7I
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 28 · NA.28
- WGK Germany
- 3 · WGK 3
- HS Code
- 2933.99 · 2933.99.8290
- 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
- hs_code
- 2933.99.8290
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
UsesRo 5-3335 is a benzodiazepine is a core binding factor (CBF) leukemia inhibitor.
Suppliers36 total
成都彼样生物科技有限公司18108052721 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海海皋科技有限公司021-57646680 18306277365 · [email protected]
广东百科试剂有限公司13532366769 13686183698 · [email protected]
Nantong HI-FUTURE Biology Co., Ltd.+86-18051384581 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
学研惠（武汉）科技有限公司15727060112 · [email protected]
上海瀚香生物科技有限公司177-54423994 17754423994 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
广东顺奥化学试剂有限公司19928586137 · [email protected]
上海喀露蓝科技有限公司18149758185 18149758185 · [email protected]
Related reactions
1 records
Compound notes
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