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BRACO 19 trihydrochloride - ≥95%(HPLC), high purity , CAS No.1177798-88-7

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BRACO 19 trihydrochloride - ≥95%(HPLC), high purity , CAS No.1177798-88-7

COA

Grade & Purity:

≥95%(HPLC)

Cas Number: 1177798-88-7
Molecular Weight: 703.14
PubChem CID: 10349800

In stock

Item Number

B287457

Grouped product items
SKU	Size	Availability	Price	Qty
B287457-10mg	10mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$309.90
B287457-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,049.90

Telomerase inhibitor

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Basic Description

Synonyms	N,N'-[9[[4-(Dimethylamino)phenyl]amino]-3,6-acridinediyl]bis-1-pyrrolidinepropanamide trihydrochloride
Specifications & Purity	≥95%(HPLC)
Biochemical and Physiological Mechanisms	Telomerase inhibitor (IC50= 115 nM). Inhibits expression of human telomerase reverse transcriptase (hTERT), induces cellular senescence and inhibits growth of uterine cancer cellsin vitro. Inhibits growth of uterine tumor xenografts in mice.
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Quinolines and derivatives
    - Subclass Benzoquinolines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Quinolines and derivatives
Subclass	Benzoquinolines
Intermediate Tree Nodes	Not available
Direct Parent	Acridines
Alternative Parents	4-aminoquinolines Beta amino acids and derivatives N-arylamides Aniline and substituted anilines Dialkylarylamines Aminopyridines and derivatives N-alkylpyrrolidines Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Secondary amines Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Hydrochlorides Organic oxides Organopnictogen compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Acridine - Aminoquinoline - Beta amino acid or derivatives - 4-aminoquinoline - Tertiary aliphatic/aromatic amine - N-arylamide - Dialkylarylamine - Aniline or substituted anilines - Aminopyridine - Monocyclic benzene moiety - Pyridine - N-alkylpyrrolidine - Benzenoid - Heteroaromatic compound - Pyrrolidine - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Secondary amine - Carboxylic acid derivative - Hydrochloride - Amine - Carbonyl group - Organopnictogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as acridines. These are organic compounds containing the acridine moiety, a linear tricyclic heterocycle which consists of two benzene rings joined by a pyridine ring.
External Descriptors	hydrochloride
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

TERT Tchem Telomerase reverse transcriptase (2428 Activities)

Discover Target: TERT

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	N-[9-[4-(dimethylamino)anilino]-6-(3-pyrrolidin-1-ylpropanoylamino)acridin-3-yl]-3-pyrrolidin-1-ylpropanamide;trihydrochloride
INCHI	InChI=1S/C35H43N7O2.3ClH/c1-40(2)28-11-7-25(8-12-28)38-35-29-13-9-26(36-33(43)15-21-41-17-3-4-18-41)23-31(29)39-32-24-27(10-14-30(32)35)37-34(44)16-22-42-19-5-6-20-42;;;/h7-14,23-24H,3-6,15-22H2,1-2H3,(H,36,43)(H,37,44)(H,38,39);3*1H
InChIKey	MJAPNWJRLLDPAB-UHFFFAOYSA-N
Smiles	CN(C)C1=CC=C(C=C1)NC2=C3C=CC(=CC3=NC4=C2C=CC(=C4)NC(=O)CCN5CCCC5)NC(=O)CCN6CCCC6.Cl.Cl.Cl
Isomeric SMILES	CN(C)C1=CC=C(C=C1)NC2=C3C=CC(=CC3=NC4=C2C=CC(=C4)NC(=O)CCN5CCCC5)NC(=O)CCN6CCCC6.Cl.Cl.Cl
PubChem CID	10349800
Molecular Weight	703.14

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Solubility	Solvent:water, Max Conc. mg/mL: 35.16, Max Conc. mM: 50; Solvent:DMSO, Max Conc. mg/mL: 35.16, Max Conc. mM: 50
Molecular Weight	703.100 g/mol
XLogP3
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	11
Exact Mass	701.278 Da
Monoisotopic Mass	701.278 Da
Topological Polar Surface Area	92.800 Å²
Heavy Atom Count	47
Formal Charge	0
Complexity	870.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	4

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