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Buntanetap - 98%, high purity , CAS No.116839-68-0

COA

Grade & Purity:

≥98%

Cas Number: 116839-68-0
Molecular Weight: 337.42
PubChem CID: 11249342

In stock

Item Number

B647602

Grouped product items
SKU	Size	Availability	Price
B647602-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$600.90
B647602-10mg	10mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$980.90
B647602-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,600.90

View related series

Cholinesterase (ChE) (151) Neuronal Signaling (3320)

Basic Description

Synonyms	UNII-Z0O4TJ588O \| F82032 \| ANVS401 \| ANVS-401 \| buntanetap [INN] \| MS-25127 \| Phenserine, (+)- \| WHO 12342 \| R-Phenserine \| HY-16009 \| Z0O4TJ588O \| (+)-O-(Phenylcarbamoyl)eseroline \| posiphen \| SCHEMBL23874278 \| Pyrrolo(2,3-b)indol-5-ol, 1,2,3,3a,8,8a-hex
Specifications & Purity	≥98%
Biochemical and Physiological Mechanisms	Buntanetap ((+)-Phenserine) is a novel selective cholinesterase noncompetitive inhibitor with an IC 50 of 45.3 μM.
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.
Product Description	Buntanetap ((+)-Phenserine) is a novel selective cholinesterase noncompetitive inhibitor with an IC 50 of 45.3 μM. Form:Solid IC50& Target:AChE

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Indoles and derivatives
    - Subclass Pyrroloindoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Indoles and derivatives
Subclass	Pyrroloindoles
Intermediate Tree Nodes	Not available
Direct Parent	Pyrroloindoles
Alternative Parents	Phenylcarbamic acid esters Indoles Dialkylarylamines N-alkylpyrrolidines Pyrroles Carbamate esters Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Pyrroloindole - Phenylcarbamic acid ester - Indole - Dialkylarylamine - Monocyclic benzene moiety - Benzenoid - N-alkylpyrrolidine - Pyrrole - Pyrrolidine - Carbamic acid ester - Azacycle - Amine - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as pyrroloindoles. These are compounds containing a pyrroloindole moiety, which is a tricyclic heterocycle which consists of a pyrrole ring fused to an indole. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom. Indole is a bicyclic compound consisting of a six-membered benzene ring fused to a five-membered nitrogen-containing pyrrole ring.
External Descriptors	Not available
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

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	[(3aS,8bR)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] N-phenylcarbamate
INCHI	InChI=1S/C20H23N3O2/c1-20-11-12-22(2)18(20)23(3)17-10-9-15(13-16(17)20)25-19(24)21-14-7-5-4-6-8-14/h4-10,13,18H,11-12H2,1-3H3,(H,21,24)/t18-,20+/m0/s1
InChIKey	PBHFNBQPZCRWQP-AZUAARDMSA-N
Smiles	CC12CCN(C1N(C3=C2C=C(C=C3)OC(=O)NC4=CC=CC=C4)C)C
Isomeric SMILES	C[C@]12CCN([C@H]1N(C3=C2C=C(C=C3)OC(=O)NC4=CC=CC=C4)C)C
Alternate CAS	159652-53-6,116839-68-0
PubChem CID	11249342
MeSH Entry Terms	N-phenylcarbamoyl eseroline;N-phenylcarbamoyleseroline;phenserine;posiphen
Molecular Weight	337.42

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

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

Analytical Chart:

Chemical and Physical Properties

Solubility	DMSO : 230 mg/mL (681.64 mM; Need ultrasonic)
Molecular Weight	337.400 g/mol
XLogP3	2.300
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	337.179 Da
Monoisotopic Mass	337.179 Da
Topological Polar Surface Area	44.800 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	507.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
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	1

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