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Osteostatin

CAT: 0931-T81592-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T81592-02Size:50 mg
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CAS Number
138949-73-2
Target
Thyroid hormone receptor (THR)
Related Pathways
Endocrinology/Hormones
Bioactivity
Osteostatin, derived from parathyroid hormone-related protein (PTHrP) 107-111, has demonstrated properties conducive to bone repair in animal models presenting with bone defects and exhibits efficacy in mitigating bone erosion associated with inflammatory arthritis. Additionally, it possesses the capacity to inhibit both collagen-induced arthritis and direct osteoclastic bone resorption, marking its potential utility in inflammation and immunology research [1] [2] [3] [4].
Smiles
C([C@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@H]([C@@H](C)O)N)=O)CCCNC(=N)N)=O)CO)=O)C)=O)C(O)=O)C=1C=2C(NC1)=CC=CC2
Molecular Formula
C27H41N9O8
Molecular Weight
619.67
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Osteostatin
CAS Number138949-73-2
PubChem CID10100395
IUPAC Name(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
Molecular FormulaC27H41N9O8
Molecular Weight619.7
XLogP-5.8
Topological Polar Surface Area300
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count10
Rotatable Bond Count17
Heavy Atom Count44
Formal Charge0
Complexity1040
SMILES
C[C@H]([C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)O)N)O
InChI
InChI=1S/C27H41N9O8/c1-13(22(39)35-19(26(43)44)10-15-11-32-17-7-4-3-6-16(15)17)33-24(41)20(12-37)36-23(40)18(8-5-9-31-27(29)30)34-25(42)21(28)14(2)38/h3-4,6-7,11,13-14,18-21,32,37-38H,5,8-10,12,28H2,1-2H3,(H,33,41)(H,34,42)(H,35,39)(H,36,40)(H,43,44)(H4,29,30,31)/t13-,14+,18-,19-,20-,21-/m0/s1
InChIKey
FFEMNOZDYSNTNO-TWGJCYIBSA-N
Chemical Structure
2D Structure
2D structure of Osteostatin
CAS: 138949-73-2
CID: 10100395
Formula: C27H41N9O8
MW: 619.7
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight619.7
XLogP3-5.8
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count10
Rotatable Bond Count17
Exact Mass619.30780930
Monoisotopic Mass619.30780930
Topological Polar Surface Area300 Ų
Heavy Atom Count44
Formal Charge0
Complexity1040
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes