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AP 20187 - 97%, high purity , CAS No.195514-80-8

COA

Grade & Purity:

≥97%

Cas Number: 195514-80-8
Molecular Weight: 1482.77
PubChem CID: 78357784

In stock

Item Number

A287920

Grouped product items
SKU	Size	Availability	Price
A287920-1mg	1mg	3	$107.90
A287920-5mg	5mg	3	$315.90
A287920-10mg	10mg	2	$494.90
A287920-25mg	25mg	2	$939.90

Chemical inducer of protein dimerization; activein vivo

View related series

Apoptosis (4276) Atg and Atg-related Protein (135) Autophagy (1917) FKBP (35) Immunology/Inflammation (1929) Intrinsic Pathway (690) Unfolded Protein Response (214)

Basic Description

Synonyms	F84990 \| (1R)-3-(3,4-dimethoxyphenyl)-1-{3-[2-({3-[2-(3-{(1R)-3-(3,4-dimethoxyphenyl)-1-[({(2S)-1-[(2S)-2-(3,4,5-trimethoxyphenyl)butanoyl]piperidin-2-yl}carbonyl)oxy]propyl}phenoxy)acetamido]-2-[(dimethylamino)methyl]propyl}amino)-2-oxoethoxy]phenyl}prop
Specifications & Purity	≥97%
Biochemical and Physiological Mechanisms	Chemical inducer of dimerization (CID) for use in FKBP fusion protein systems. Induces apoptosis in cells expressing fusion proteins consisting of FKBPF36Vand the intracellular domain of the Fas receptor, Fas-associated death domain (FADD) or a caspase. S
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 Phenylpropanoids and polyketides
  - Class Linear 1,3-diarylpropanoids

Kingdom	Organic compounds
Superclass	Phenylpropanoids and polyketides
Class	Linear 1,3-diarylpropanoids
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Linear 1,3-diarylpropanoids
Alternative Parents	Alpha amino acid esters Benzyloxycarbonyls Dimethoxybenzenes Phenylacetamides Phenylpropanes N-acylpiperidines Piperidinecarboxylic acids Anisoles Phenoxy compounds Alkyl aryl ethers Dicarboxylic acids and derivatives Tertiary carboxylic acid amides Trialkylamines Carboxylic acid esters Secondary carboxylic acid amides Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Linear 1,3-diarylpropanoid - Alpha-amino acid ester - Alpha-amino acid or derivatives - Benzyloxycarbonyl - O-dimethoxybenzene - Dimethoxybenzene - Phenylacetamide - N-acyl-piperidine - Phenylpropane - Piperidinecarboxylic acid - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Piperidine - Tertiary carboxylic acid amide - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - Organoheterocyclic compound - Azacycle - Ether - Carboxylic acid derivative - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Amine - Organonitrogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as linear 1,3-diarylpropanoids. These are organic compounds with a structure based on a C6-C3-C6 skeleton, where the two benzene rings are not linked together.
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

Names and Identifiers

IUPAC Name	[(1R)-3-(3,4-dimethoxyphenyl)-1-[3-[2-[[2-[[[2-[3-[(1R)-3-(3,4-dimethoxyphenyl)-1-[(2S)-1-[(2S)-2-(3,4,5-trimethoxyphenyl)butanoyl]piperidine-2-carbonyl]oxypropyl]phenoxy]acetyl]amino]methyl]-3-(dimethylamino)propyl]amino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4,5-trimethoxyphenyl)butanoyl]piperidine-2-carboxylate
INCHI	InChI=1S/C82H107N5O20/c1-15-61(57-43-71(98-9)77(102-13)72(44-57)99-10)79(90)86-37-19-17-27-63(86)81(92)106-65(33-29-52-31-35-67(94-5)69(39-52)96-7)55-23-21-25-59(41-55)104-50-75(88)83-47-54(49-85(3)4)48-84-76(89)51-105-60-26-22-24-56(42-60)66(34-30-53-32-36-68(95-6)70(40-53)97-8)107-82(93)64-28-18-20-38-87(64)80(91)62(16-2)58-45-73(100-11)78(103-14)74(46-58)101-12/h21-26,31-32,35-36,39-46,54,61-66H,15-20,27-30,33-34,37-38,47-51H2,1-14H3,(H,83,88)(H,84,89)/t61-,62-,63-,64-,65+,66+/m0/s1
InChIKey	NSBGUMKAXUXKGI-BPNHAYRBSA-N
Smiles	CCC(C1=CC(=C(C(=C1)OC)OC)OC)C(=O)N2CCCCC2C(=O)OC(CCC3=CC(=C(C=C3)OC)OC)C4=CC(=CC=C4)OCC(=O)NCC(CNC(=O)COC5=CC=CC(=C5)C(CCC6=CC(=C(C=C6)OC)OC)OC(=O)C7CCCCN7C(=O)C(CC)C8=CC(=C(C(=C8)OC)OC)OC)CN(C)C
Isomeric SMILES	CC[C@@H](C1=CC(=C(C(=C1)OC)OC)OC)C(=O)N2CCCC[C@H]2C(=O)O[C@H](CCC3=CC(=C(C=C3)OC)OC)C4=CC(=CC=C4)OCC(=O)NCC(CNC(=O)COC5=CC=CC(=C5)[C@@H](CCC6=CC(=C(C=C6)OC)OC)OC(=O)[C@@H]7CCCCN7C(=O)[C@@H](CC)C8=CC(=C(C(=C8)OC)OC)OC)CN(C)C
Molecular Weight	1482.77
Reaxy-Rn	28517222
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=28517222&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

5 results found

Lot Number	Certificate Type	Date	Item
H2229053	Certificate of Analysis	Jun 09, 2025	A287920
H2229052	Certificate of Analysis	Jun 09, 2025	A287920
H2229051	Certificate of Analysis	Jun 09, 2025	A287920
H2229050	Certificate of Analysis	Jun 09, 2025	A287920
L2406047	Certificate of Analysis	Mar 15, 2022	A287920

Chemical and Physical Properties

Solubility	Solvent:DMSO, Max Conc. mg/mL: 148.28, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 148.28, Max Conc. mM: 100
Molecular Weight	1482.700 g/mol
XLogP3	12.200
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	21
Rotatable Bond Count	42
Exact Mass	1481.75 Da
Monoisotopic Mass	1481.75 Da
Topological Polar Surface Area	265.000 Å²
Heavy Atom Count	107
Formal Charge	0
Complexity	2450.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	6
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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