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Aniline-PEG3-C1-Boc

CAT: 0804-HY-164637-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-164637-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Aniline-PEG3-C1-Boc (compound D-1) is an intermediate of cytotoxic drug linker polymer. Aniline-PEG3-C1-Boc can be used in the synthesis of antibody-drug conjugates (ADCs) [1].
CAS Number
2115897-27-1
UNSPSC
12352203
Target
Drug-Linker Conjugates for ADC
Type
ADC Related
Related Pathways
Antibody-drug Conjugate/ADC Related
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/aniline-peg3-c1-boc.html
Purity
98.26
Solubility
DMSO : 350 mg/mL (ultrasonic)
Smiles
O=C(COCCOCCOCCOC1=CC=C(C=C1)N)OC(C)(C)C
Molecular Formula
C18H29NO6
Molecular Weight
355.43
References & Citations
[1]JingKang Shen, et al. Antibody-drug conjugate targeting CD73 and preparation method and application thereof. China, CN110575548A.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
ADC Related
Clinical Information
No Development Reported

Chemical Information

Tert-butyl 2-(2-{2-[2-(4-aminophenoxy)ethoxy]ethoxy}ethoxy)acetate
CAS Number2115897-27-1
PubChem CID139481735
IUPAC Nametert-butyl 2-[2-[2-[2-(4-aminophenoxy)ethoxy]ethoxy]ethoxy]acetate
Molecular FormulaC18H29NO6
Molecular Weight355.4
XLogP1.7
Topological Polar Surface Area89.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count14
Heavy Atom Count25
Formal Charge0
Complexity350
SMILES
CC(C)(C)OC(=O)COCCOCCOCCOC1=CC=C(C=C1)N
InChI
InChI=1S/C18H29NO6/c1-18(2,3)25-17(20)14-23-11-10-21-8-9-22-12-13-24-16-6-4-15(19)5-7-16/h4-7H,8-14,19H2,1-3H3
InChIKey
OTBIXAAPJQRYMW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tert-butyl 2-(2-{2-[2-(4-aminophenoxy)ethoxy]ethoxy}ethoxy)acetate
CAS: 2115897-27-1
CID: 139481735
Formula: C18H29NO6
MW: 355.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight355.4
XLogP31.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count14
Exact Mass355.19948764
Monoisotopic Mass355.19948764
Topological Polar Surface Area89.2 Ų
Heavy Atom Count25
Formal Charge0
Complexity350
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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