UNC3866 - 10mM in DMSO , CAS No.1872382-47-2

CAS: 1872382-47-2 Cat. No.: U422291 Fórmula: C43H66N6O8 Peso molecular: 795.02 PubChem CID: 101043861
Disponível para encomenda
GRAU & PUREZA 10mM in DMSO
Synonyms
(3S,6S,9S,12S,15S)-methyl 3-benzyl-1-(4-(tert-butyl)phenyl)-12-(4-(diethylamino)butyl)-15-(hydroxymethyl)-9-isobutyl-6-methyl-1,4,7,10,13-pentaoxo-2,5,8,11,14-pentaazahexadecan-16-oate | L-​Serine | N-​[4-​(1,​1-​dimethylethyl)​benzoyl]​-​L-​phenylalanyl-
Storage
Store at -80°C
Shipped In
Dry ice packs + Cold packs
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Tamanho
Alemanha (EU)
USA*
Preço
Qtd
1ml
U422291-1ml
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Por que este grau

10mM in DMSO para fluxos de trabalho cromatográficos e analíticos sensíveis que exigem interferência mínima da linha de base.

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Armazenamento e envio

Store at -80°C Envio Dry ice packs + Cold packs. Consulte o COA específico do lote para obter as especificações exatas.

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Comprovação documental

Citado em 0 publicações revisadas por pares nas áreas de cromatografia, síntese orgânica e reações de acoplamento cruzado.

Visão geral

Information

UNC3866 UNC3866 is a potent antagonist of the methyllysine (Kme) reading function of the Polycomb CBX and CDY families of chromodomains. UNC3866 binds the chromodomains of CBX4 and CBX7 most potently, with a K(d) of ∼100 nM for each, and is 6- to 18-fold selective as compared to seven other CBX and CDY chromodomains.

Targets

PRC1 chromodomains ; CBX4 chromodomains ; CBX7 chromodomains ; 94 nM(Kd); 97 nM(Kd)

In vitro

UNC3866 is a potent antagonist of the CBX7-H3 interaction(IC50 = 66±1.2 nM). The affinity of UNC3866 for CBX2, -4, -6 and -8 is also surprisingly well correlated with the percent sequence identity of each chromodomain relative to that of CBX7. UNC3866 is equipotent for CBX4, which is most similar to CBX7, while it is 18-, 6- and 12-fold selective for CBX4/7 over CBX2, -6 and -8, respectively. Additionally, UNC3866 is 65-fold selective for CBX4/7 over CDY1 and 9-fold selective for CBX4/7 over CDYL1b and CDYL2. UNC3866 antagonizes PRC1 chromodomains in cells. Thought the permeability of UNC3866 is low, it is sufficiently cell permeable and stable to evaluate its ability to engage and antagonize the functions of its chromodomain targets in cells. UNC3866 inhibits PC3 cell proliferation .

In vivo

UNC3866 is the predominant species in plasma at all time points tested relative to UNC4007 and shows 25% bioavailability and moderate clearance. While these PK results are promising for a peptidic compound, the use of UNC3866 in vivo may be limited because of the high circulating levels required for intracellular target engagement due to its poor cell permeability. The potential utility of UNC3866 at higher doses for in vivo experiments is currently under investigation.

Cell Research(from reference)

Cell lines:PC3 cells 

Concentrations:30 μM 

Incubation Time:24 hours 

Especificações

Sinónimos
(3S,6S,9S,12S,15S)-methyl 3-benzyl-1-(4-(tert-butyl)phenyl)-12-(4-(diethylamino)butyl)-15-(hydroxymethyl)-9-isobutyl-6-methyl-1,4,7,10,13-pentaoxo-2,5,8,11,14-pentaazahexadecan-16-oate | L-​Serine | N-​[4-​(1,​1-​dimethylethyl)​benzoyl]​-​L-​phenylalanyl-
Especificações e pureza
10mM in DMSO
Mecanismos bioquímicos e fisiológicos
UNC3866 is a potent antagonist of the methyllysine (Kme) reading function of the Polycomb CBX and CDY families of chromodomains. UNC3866 binds the chromodomains of CBX4 and CBX7 most potently, with a K(d) of ∼100 nM for each, and is 6- to 18-fold selectiv
Condições de armazenamento de armazenamento
Store at -80°C
Enviado em
Dry ice packs + Cold packs
Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.
Propriedades do produto
ALogP
4.291
Contagem HBD
6
Ligação rotativa
25
Nomes e identificadores
Pubchem Sid
Sorrisos canónicos
CCN(CC)CCCCC(C(=O)NC(CO)C(=O)OC)NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)C(C)(C)C
IUPAC Name
methyl (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(4-tert-butylbenzoyl)amino]-3-phenylpropanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-6-(diethylamino)hexanoyl]amino]-3-hydroxypropanoate
InChIKey
UMRRDXVUROEIKJ-JCXBGQGISA-N
INCHI
1S/C43H66N6O8/c1-10-49(11-2)24-16-15-19-33(39(53)48-36(27-50)42(56)57-9)45-41(55)34(25-28(3)4)46-37(51)29(5)44-40(54)35(26-30-17-13-12-14-18-30)47-38(52)31-20-22-32(23-21-31)43(6,7)8/h12-14,17-18,20-23,28-29,33-36,50H,10-11,15-16,19,24-27H2,1-9H3,(H,44,54)(H,45,55)(H,46,51)(H,47,52)(H,48,53)/t29-,33-,34-,35-,36-/m0/s1
SMILES isoméricas
CCN(CC)CCCC[C@@H](C(=O)N[C@@H](CO)C(=O)OC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)C(C)(C)C
PubChem CID
101043861
Peso molecular
795.02

Documentação

📋 Ficha de dados de segurança (FDS)

Documento abrangente sobre perigos, manuseamento, armazenamento e conformidade regulamentar.

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Dados avançados

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganic acids and derivatives
ClasseCarboxylic acids and derivatives
SubclassAmino acids, peptides, and analogues
Intermediate Tree Nodes Peptides
Direct ParentOligopeptides
Alternative Parents Phenylalanine and derivatives  Leucine and derivatives  Alpha amino acid esters  N-acyl-alpha amino acids and derivatives  Hippuric acids and derivatives  Serine and derivatives  Alpha amino acid amides  Alanine and derivatives  Amphetamines and derivatives  Phenylpropanes  Benzoyl derivatives  Beta hydroxy acids and derivatives  N-acyl amines  Methyl esters  Trialkylamines  Secondary carboxylic acid amides  Monocarboxylic acids and derivatives  Hydrocarbon derivatives  Carbonyl compounds  Organic oxides  Organopnictogen compounds  Primary alcohols  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Alpha-oligopeptide - Phenylalanine or derivatives - Leucine or derivatives - Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Hippuric acid or derivatives - Alpha-amino acid amide - Serine or derivatives - Alanine or derivatives - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Amphetamine or derivatives - Benzoic acid or derivatives - Benzamide - Phenylpropane - Benzoyl - Beta-hydroxy acid - Fatty acyl - Monocyclic benzene moiety - Benzenoid - Fatty amide - Hydroxy acid - N-acyl-amine - Methyl ester - Secondary carboxylic acid amide - Tertiary amine - Amino acid or derivatives - Carboxylic acid ester - Carboxamide group - Tertiary aliphatic amine - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - Organopnictogen compound - Primary alcohol - Amine - Organic oxide - Organonitrogen compound - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound
DescriçãoThis compound belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds.
External Descriptors Not available
Estrutura 3D
Modelo de Estrutura Química Interativa





Alvos associados (humanos)
CDYL Tchem Chromodomain Y-like protein (3 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CBX6 Tchem Chromobox protein homolog 6 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CDYL2 Tchem Chromodomain Y-like protein 2 (3 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CBX4 Tchem E3 SUMO-protein ligase CBX4 (3 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CBX7 Tchem Chromobox protein homolog 7 (3 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
PC-3 (62116 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CBX7 Tchem Chromobox protein homolog 7 (354 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CBX8 Tchem Chromobox protein homolog 8 (73 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CBX4 Tchem E3 SUMO-protein ligase CBX4 (69 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CBX2 Tchem Chromobox protein homolog 2 (12 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CBX6 Tchem Chromobox protein homolog 6 (20 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CBX3 Tbio Chromobox protein homolog 3 (2 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CBX5 Tbio Chromobox protein homolog 5 (49 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CDYL Tchem Chromodomain Y-like protein (97 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CDYL2 Tchem Chromodomain Y-like protein 2 (104 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CDY1 Tchem Testis-specific chromodomain protein Y 1 (56 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Alvos associados (não humanos)
Schistosoma mansoni (6170 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de ação
Certificados(CoA,COO,BSE/TSE e Mapa de Análise)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

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Lot NumberCertificate TypeDataItem
E2422025E2422025Certificate of AnalysisApr 03, 2026 U422291
Propriedades químicas e físicas
DMSO (mg/mL) Solubilidade máxima100
DMSO (mM) Solubilidade máxima125.7829992
Água (mg/mL) Solubilidade máxima<1
Peso molecular795.000 g/mol
XLogP35.500
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count9
Rotatable Bond Count25
Exact Mass794.494 Da
Monoisotopic Mass794.494 Da
Topological Polar Surface Area195.000 Ų
Heavy Atom Count57
Formal Charge0
Complexity1270.000
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calculadoras de soluções
Revisões

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