VHL Ligand 14

CAT: 0931-T87617-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0931-T87617-01Size:10 mg

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CAS Number

2010986-87-3

Target

Ligand for E3 Ligase

Related Pathways

PROTAC

Bioactivity

VHL Ligand 14 (Compound 11), a VHL ligand engineered for creating PROTAC estrogen receptor α (ERα) degraders, exhibits a binding affinity with an IC50 of 196 nM [1].

Smiles

C([C@@H](NC(C)=O)C(C)(C)C)(=O)N1[C@H](C(N[C@@H](C)C2=CC=C(C=C2)C3=C(C)N=CS3)=O)C[C@@H](O)C1

Molecular Formula

C25H34N4O4S

Molecular Weight

486.63

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

VHL Ligand 14

CAS Number	2010986-87-3
PubChem CID	122529139
IUPAC Name	(2S,4R)-1-[(2S)-2-acetamido-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
Molecular Formula	C25H34N4O4S
Molecular Weight	486.6
XLogP	2.7
Topological Polar Surface Area	140
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Heavy Atom Count	34
Formal Charge	0
Complexity	750

SMILES

CC1=C(SC=N1)C2=CC=C(C=C2)[C@H](C)NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C)O

InChI

InChI=1S/C25H34N4O4S/c1-14(17-7-9-18(10-8-17)21-15(2)26-13-34-21)27-23(32)20-11-19(31)12-29(20)24(33)22(25(4,5)6)28-16(3)30/h7-10,13-14,19-20,22,31H,11-12H2,1-6H3,(H,27,32)(H,28,30)/t14-,19+,20-,22+/m0/s1

InChIKey

JAHUHEDUDMTTTF-COWZOJLOSA-N

Chemical Structure

2D Structure

CAS: 2010986-87-3

CID: 122529139

Formula: C25H34N4O4S

MW: 486.6

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	486.6
XLogP3	2.7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Exact Mass	486.23007675
Monoisotopic Mass	486.23007675
Topological Polar Surface Area	140 Å²
Heavy Atom Count	34
Formal Charge	0
Complexity	750
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
F4600-07-01	Flt3 Ligand (Fms-like Tyrosine Kinase 3 Ligand, flk2 Ligand)
cyt-340-01	mFlt3 Ligand
522887-01	FAS Ligand
400305-01	Flt3 ligand
MBS7042993-01	Kit ligand
AP81626	CD40 ligand
GTR19020256-01	ICOS ligand
cyt-1041-01	pFlt3 Ligand

VHL Ligand 14

Chemical Information

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