EGFR Ligand-Linker Conjugates 1

CAT: 0931-T212222-01Size: 10 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0931-T212222-01Size:10 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

2768472-86-0

Target

EGFR, Target Protein Ligand-Linker Conjugate

Related Pathways

PROTAC, JAK/STAT signaling, Angiogenesis, Tyrosine Kinase/Adaptors

Bioactivity

EGFRLigand-Linker Conjugates 1 is a Target Protein Ligand-Linker Conjugate comprising an EGFR ligand and a PROTAC linker, designed to recruit the E3 ligase. It is used in the synthesis of PROTACEGFRdegrader 3.

Smiles

N(C=1N(C=2C(N1)=CN=C(NC3=CC=C(C=C3)N4CCN(CCCCCCCC(O)=O)CC4)N2)[C@@H]5CN(C(C=C)=O)CCC5)C6=CC=CC=C6

Molecular Formula

C37H47N9O3

Molecular Weight

665.83

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

8-[4-[4-[[8-anilino-9-[(3S)-1-prop-2-enoylpiperidin-3-yl]purin-2-yl]amino]phenyl]piperazin-1-yl]octanoic acid

CAS Number	2768472-86-0
PubChem CID	178203423
IUPAC Name	8-[4-[4-[[8-anilino-9-[(3S)-1-prop-2-enoylpiperidin-3-yl]purin-2-yl]amino]phenyl]piperazin-1-yl]octanoic acid
Molecular Formula	C37H47N9O3
Molecular Weight	665.8
XLogP	3.7
Topological Polar Surface Area	132
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	15
Heavy Atom Count	49
Formal Charge	0
Complexity	1040

SMILES

C=CC(=O)N1CCC[C@@H](C1)N2C3=NC(=NC=C3N=C2NC4=CC=CC=C4)NC5=CC=C(C=C5)N6CCN(CC6)CCCCCCCC(=O)O

InChI

InChI=1S/C37H47N9O3/c1-2-33(47)45-21-11-14-31(27-45)46-35-32(41-37(46)40-28-12-7-6-8-13-28)26-38-36(42-35)39-29-16-18-30(19-17-29)44-24-22-43(23-25-44)20-10-5-3-4-9-15-34(48)49/h2,6-8,12-13,16-19,26,31H,1,3-5,9-11,14-15,20-25,27H2,(H,40,41)(H,48,49)(H,38,39,42)/t31-/m0/s1

InChIKey

YLNHDUMCOKSWPP-HKBQPEDESA-N

Chemical Structure

2D Structure

CAS: 2768472-86-0

CID: 178203423

Formula: C37H47N9O3

MW: 665.8

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	665.8
XLogP3	3.7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	15
Exact Mass	665.38018640
Monoisotopic Mass	665.38018640
Topological Polar Surface Area	132 Å²
Heavy Atom Count	49
Formal Charge	0
Complexity	1040
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
T74571-01	TSPO Ligand-Linker Conjugates 1
T17727-01	CCK2R Ligand-Linker Conjugates 1
T17364-01	AhR Ligand-Linker Conjugates 1
T211917-01	USP7 Ligand-Linker Conjugates 1
T17895-01	CIAP1 Ligand-Linker Conjugates 1
T17941-01	ERRα Ligand-Linker Conjugates 1
T212338-01	KRAS G12C Ligand-Linker Conjugates 1
T17899-01	CIAP1 Ligand-Linker Conjugates 9
T17894-01	CIAP1 Ligand-Linker Conjugates 3
T17885-01	CIAP1 Ligand-Linker Conjugates 11

Alternative Products

Catalog	Name
HY-176788	EGFR Ligand-Linker Conjugates 1
HY-178311	EGFR Ligand-Linker Conjugates 4
HY-128816-01	CIAP1 Ligand-Linker Conjugates 2
HY-128824-01	CIAP1 Ligand-Linker Conjugates 9
HY-128821-01	CIAP1 Ligand-Linker Conjugates 4
HY-128813-01	CIAP1 Ligand-Linker Conjugates 15
MBS3843479-01	cIAP1 Ligand-Linker Conjugates 11
MBS5770807	ERRalpha Ligand-Linker Conjugates 1
MBS5770775	VHL Ligand-Linker Conjugates 15
MBS5770597	CCK2R Ligand-Linker Conjugates 1

EGFR Ligand-Linker Conjugates 1

Chemical Information

Related Products

Alternative Products

Popular Products