BSc2118

CAT: 0931-T68513-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0931-T68513-02Size:50 mg

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CAS Number

863924-64-5

Target

Others

Related Pathways

Others

Bioactivity

BSc2118 is a potent proteasome inhibitor. BSc2118 shows significant antimyeloma activity and may be considered as a promising agent in cancer drug development. BSc2118 is also a promising new candidate for stroke therapy, which may in addition alleviate recombinant tissue-plasminogen activator-induced brain toxicity.

Smiles

[C@@H](NC([C@@H](NC(OCC1=CC=CC=C1)=O)CC(C)C)=O)(C(N[C@@H](CC(C)C)C=O)=O)CC(OC(C)(C)C)=O

Molecular Formula

C28H43N3O7

Molecular Weight

533.66

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

tert-butyl (S)-3-((S)-2-(((benzyloxy)carbonyl)amino)-4-methylpentanamido)-4-(((S)-4-methyl-1-oxopentan-2-yl)amino)-4-oxobutanoate

CAS Number	863924-64-5
PubChem CID	12002265
IUPAC Name	tert-butyl (3S)-4-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]-3-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-4-oxobutanoate
Molecular Formula	C28H43N3O7
Molecular Weight	533.7
XLogP	3.9
Topological Polar Surface Area	140
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	17
Heavy Atom Count	38
Formal Charge	0
Complexity	786

SMILES

CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C28H43N3O7/c1-18(2)13-21(16-32)29-25(34)23(15-24(33)38-28(5,6)7)30-26(35)22(14-19(3)4)31-27(36)37-17-20-11-9-8-10-12-20/h8-12,16,18-19,21-23H,13-15,17H2,1-7H3,(H,29,34)(H,30,35)(H,31,36)/t21-,22-,23-/m0/s1

InChIKey

IWBUYMFIYWDGMJ-VABKMULXSA-N

Chemical Structure

2D Structure

CAS: 863924-64-5

CID: 12002265

Formula: C28H43N3O7

MW: 533.7

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	533.7
XLogP3	3.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	17
Exact Mass	533.31010072
Monoisotopic Mass	533.31010072
Topological Polar Surface Area	140 Å²
Heavy Atom Count	38
Formal Charge	0
Complexity	786
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
MBS5811074	BSc2118

BSc2118

Chemical Information

Alternative Products

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