Oncrasin-1 - CAS 75629-57-1

Catalog:	BB035357
Product Name:	Oncrasin-1
CAS:	75629-57-1
Synonyms:	1-[(4-chlorophenyl)methyl]indole-3-carbaldehyde

Catalog	Size	Price	Stock	Quantity
BB035357	50 mg	$298	In stock

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Technical Data

IUPAC Name:	1-[(4-chlorophenyl)methyl]indole-3-carbaldehyde
Description:	Oncrasin-1 is a potent and effective anticancer inhibitor that kills various human lung cancer cells with K-Ras mutations at low or submicromolar concentrations. It also led to abnormal aggregation of PKCι in nucleus of sensitive cells but not in resistant cells.
Molecular Weight:	269.73
Molecular Formula:	C16H12ClNO
Canonical SMILES:	C1=CC=C2C(=C1)C(=CN2CC3=CC=C(C=C3)Cl)C=O
InChI:	InChI=1S/C16H12ClNO/c17-14-7-5-12(6-8-14)9-18-10-13(11-19)15-3-1-2-4-16(15)18/h1-8,10-11H,9H2
InChI Key:	ZDRQMXCSSAPUMM-UHFFFAOYSA-N
Boiling Point:	465.5 °C at 760 mmHg
Purity:	98 %
Density:	1.21 g/cm³
MDL:	MFCD01051808
LogP:	4.15550

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2021209995-A1	Cell-derived vesicles comprising wild-type p53 protein for antiviral therapy	20200413
CN-110627705-A	N-benzyl indole thiosemicarbazone derivative, preparation and application	20190929
CN-110627705-B	N-benzyl indole thiosemicarbazone derivative, preparation and application	20190929
WO-2020240569-A1	Methods of digit regeneration	20190530
US-2020056203-A1	Treating Animal Cancers Through Programmed Cancer Cell Death	20180817

PMID	Publication Date	Title	Journal
21443218	20110428	Analogues and derivatives of oncrasin-1, a novel inhibitor of the C-terminal domain of RNA polymerase II and their antitumor activities	Journal of medicinal chemistry
21522474	20110226	(2Z,3E)-2-{[1-(4-Chloro-benz-yl)-1H-indol-3-yl]methyl-idene}quinuclidin-3-one oxime	Acta crystallographica. Section E, Structure reports online
22174819	20110101	Antitumor activity of a novel oncrasin analogue is mediated by JNK activation and STAT3 inhibition	PloS one
20398386	20100416	Oxidative stress in NSC-741909-induced apoptosis of cancer cells	Journal of translational medicine
19208825	20090201	Interruption of RNA processing machinery by a small compound, 1-[(4-chlorophenyl)methyl]-1H-indole-3-carboxaldehyde (oncrasin-1)	Molecular cancer therapeutics

Complexity:	314
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	269.0607417
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	269.0607417
Rotatable Bond Count:	3
Topological Polar Surface Area:	22 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.7