Ro5-3335

Ro5-3335
Identifiers
	IUPAC name 7-chloro-5-(1H-pyrrol-2-yl)-1,3-dihydro-1,4-benzodiazepin-2-one;
CAS Number	30195-30-3;
PubChem CID	64983;
ChemSpider	58508;
UNII	DLH4T68L7I;
ChEBI	CHEBI:131785;
ChEMBL	ChEMBL91609;
CompTox Dashboard (EPA)	DTXSID20184270 ;
Chemical and physical data
Formula	C13H10ClN3O
Molar mass	259.69 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES C1C(=O)NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CN3;
	InChI InChI=1S/C13H10ClN3O/c14-8-3-4-10-9(6-8)13(11-2-1-5-15-11)16-7-12(18)17-10/h1-6,15H,7H2,(H,17,18); Key:XWNMORIHKRROGW-UHFFFAOYSA-N;

Ro5-3335 is an experimental drug from the benzodiazepine family which acts as a selective inhibitor of the protein Runt-related transcription factor 1 (RUNX1). Inhibition of this protein is useful in numerous medical applications, and Ro5-3335 has beneficial effects against diverse conditions including HIV infection, leukemia and some other forms of cancer, recovery following heart attack, acute kidney injury, and some types of retinopathy.^[1]^[2]^[3]^[4]^[5]^[6]^[7]^[8]^[9]

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Identifiers

IUPAC name 7-chloro-5-(1H-pyrrol-2-yl)-1,3-dihydro-1,4-benzodiazepin-2-one
CAS Number	30195-30-3
PubChem CID	64983
ChemSpider	58508
UNII	DLH4T68L7I
ChEBI	CHEBI:131785
ChEMBL	ChEMBL91609
CompTox Dashboard (EPA)	DTXSID20184270
Chemical and physical data
Formula	C₁₃H₁₀ClN₃O
Molar mass	259.69 g·mol⁻¹
3D model (JSmol)	Interactive image
SMILES C1C(=O)NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CN3
InChI InChI=1S/C13H10ClN3O/c14-8-3-4-10-9(6-8)13(11-2-1-5-15-11)16-7-12(18)17-10/h1-6,15H,7H2,(H,17,18) Key:XWNMORIHKRROGW-UHFFFAOYSA-N