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Boronated porphyrin

CAT: 0013-GTR19274557-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19274557-02Size:10 mg
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Description
Boronated porphyrin (BOPP) is a tumor-targeting agent that selectively accumulates in gliomas and localizes within the mitochondria of cells.
CAS Number
132701-58-7
Smiles
O=C (O) CCC=1C=2N=C (C=C3NC (=CC4=NC (=CC=5NC (C2) =C (C5C) CCC (=O) O) C (=C4C) C (OC (=O) C6789[BH]%10%11%12[BH]%13%14%15[BH]%16%17%18[BH]%13%19%12[BH]%16%20%21[BH]%17%22%23[BH]%18%14%24[BH]%15%109[BH]%24%228[CH]%20%237[BH]%19%21%116) COC (=O) C%25%26%27%28[BH]%29%30%31[BH]%32%33%34[BH]%35%36%37[BH]%32%38%31[BH]%35%39%40[BH]%36%41%42[BH]%37%33%43[BH]%34%29%28[BH]%43%41%27[CH]%39%42%26[BH]%38%40%30%25) C (=C3C) C (OC (=O) C%44%45%46%47[BH]%48%49%50[BH]%51%52%53[BH]%54%55%56[BH]%51%57%50[BH]%54%58%59[BH]%55%60%61[BH]%56%52%62[BH]%53%48%47[BH]%62%60%46[CH]%58%61%45[BH]%57%59%49%44) COC (=O) C%63%64%65%66[BH]%67%68%69[BH]%70%71%72[BH]%73%74%75[BH]%70%76%69[BH]%73%77%78[BH]%74%79%80[BH]%75%71%81[BH]%72%67%66[BH]%81%79%65[CH]%77%80%64[BH]%76%78%68%63) C1C
Molecular Formula
C46H78B40N4O12
Molecular Weight
1311.55
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

PyBOP
CAS Number132701-58-7
PubChem CID2724699
IUPAC Namebenzotriazol-1-yloxy(tripyrrolidin-1-yl)phosphanium hexafluorophosphate
Molecular FormulaC18H28F6N6OP2
Molecular Weight520.4
Topological Polar Surface Area49.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count13
Rotatable Bond Count5
Heavy Atom Count33
Formal Charge0
Complexity500
SMILES
C1CCN(C1)[P+](N2CCCC2)(N3CCCC3)ON4C5=CC=CC=C5N=N4.F[P-](F)(F)(F)(F)F
InChI
InChI=1S/C18H28N6OP.F6P/c1-2-10-18-17(9-1)19-20-24(18)25-26(21-11-3-4-12-21,22-13-5-6-14-22)23-15-7-8-16-23;1-7(2,3,4,5)6/h1-2,9-10H,3-8,11-16H2;/q+1;-1
InChIKey
VIAFLMPQBHAMLI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of PyBOP
CAS: 132701-58-7
CID: 2724699
Formula: C18H28F6N6OP2
MW: 520.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight520.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count13
Rotatable Bond Count5
Exact Mass520.17040251
Monoisotopic Mass520.17040251
Topological Polar Surface Area49.7 Ų
Heavy Atom Count33
Formal Charge0
Complexity500
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
HY-19209Boronated porphyrin
FT32237-01Tetrabromophenyl-porphyrin
HY-117544-01Porphyrin precursor
M35386-01Biguanidinium-porphyrin
sc-293524Bis (zinc porphyrin)
283122-01Tetra-Methoxycarbonylphenyl-porphyrin
111353Anti Porphyrin Pab
HY-W127826Perfluorododecylthio Tetra Fluorophenyl Porphyrin
HY-W035138-01Tetra (p-bromophenyl) porphyrin
sc-293524ABis (Zinc Porphyrin) (c)

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