Thalidomide-5-NH2-C8-NH2 (TFA)

CAT: 0804-HY-148872-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-148872-01Size:5 mg

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Description

Thalidomide-5-NH2-C8-NH2 TFA can be used for compound synthesis[1].

CAS Number

2097509-49-2

UNSPSC

12352005

Target

Apoptosis; Autophagy; E3 Ligase Ligand-Linker Conjugates

Type

Reference compound

Related Pathways

Apoptosis; Autophagy; PROTAC

Field of Research

Others

Assay Protocol

https://www.medchemexpress.com/thalidomide-5-nh2-c8-nh2-tfa.html

Purity

98.30

Solubility

DMSO : 100 mg/mL (ultrasonic)

Smiles

O=C(C(F)(F)F)O.O=C1NC(C(CC1)N2C(C3=CC=C(NCCCCCCCCN)C=C3C2=O)=O)=O

Molecular Formula

C23H29F3N4O6

Molecular Weight

514.49

References & Citations

[1]Michael Bruno Plewe, et al. Compounds and methods of treating diseases. Patent WO2022068933A1.

Shipping Conditions

Blue Ice

Storage Conditions

-20°C (Powder, sealed storage, away from moisture and light)

Scientific Category

Reference compound1

Clinical Information

No Development Reported

Isoform

Cereblon

Chemical Information

Thalidomide-5-NH2-C8-NH2 (TFA)

CAS Number	2097509-49-2
PubChem CID	132260585
IUPAC Name	5-(8-aminooctylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2,2,2-trifluoroacetic acid
Molecular Formula	C23H29F3N4O6
Molecular Weight	514.5
Topological Polar Surface Area	159
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	10
Heavy Atom Count	36
Formal Charge	0
Complexity	722

SMILES

C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C=C(C=C3)NCCCCCCCCN.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C21H28N4O4.C2HF3O2/c22-11-5-3-1-2-4-6-12-23-14-7-8-15-16(13-14)21(29)25(20(15)28)17-9-10-18(26)24-19(17)27;3-2(4,5)1(6)7/h7-8,13,17,23H,1-6,9-12,22H2,(H,24,26,27);(H,6,7)

InChIKey

NVUSVLWAQSTODF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2097509-49-2

CID: 132260585

Formula: C23H29F3N4O6

MW: 514.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	514.5
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	10
Exact Mass	514.20391914
Monoisotopic Mass	514.20391914
Topological Polar Surface Area	159 Å²
Heavy Atom Count	36
Formal Charge	0
Complexity	722
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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Thalidomide-5-NH2-C8-NH2 (TFA)

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