Basic information
- CAS
871240-94-7- Standard SMILES
CCN(CC)c1ccc2nc3ccc(/N=N/c4ccc(N(C)CCCC(=O)ON5C(=O)CCC5=O)cc4)cc3[n+](-c3ccccc3)c2c1- InChIKey
QGXKSFXRZRDECO-UHFFFAOYSA-N- Molecular formula
- C37H38N7O4+
- Average molar mass
- 644.7 g/mol
Names & identifiers
- Preferred name
- Bhq-3 nhs
- IUPAC
- (2,5-dioxopyrrolidin-1-yl) 4-[4-[[8-(diethylamino)-10-phenylphenazin-10-ium-2-yl]diazenyl]-N-methylanilino]butanoate
- English name
- Phenazinium, 3-(diethylamino)-7-[2-[4-[[4-[(2,5-dioxo-1-pyrrolidinyl)oxy]-4-oxobutyl]methylamino]phenyl]diazenyl]-5-phenyl-
- Molecular formula
- C37H38N7O4+
- Molecular weight
- 644.76
Names & synonyms
BHQ-3 NHS871240-94-73-(Diethylamino)-7-((4-((4-((2,5-dioxopyrrolidin-1-yl)oxy)-4-oxobutyl)(methyl)amino)phenyl)diazenyl)-5-phenylphenazin-5-iumSCHEMBL131607203-(Diethylamino)-7-[2-[4-[[4-[(2,5-dioxo-1-pyrrolidinyl)oxy]-4-oxobutyl]methylamino]phenyl]diazenyl]-5-phenylphenaziniumHCQ-3 NHSHCQ-3 NHS (~BHQ-3 NHS)Caprylic Acid Impurity 32Phenazinium, 3-(diethylamino)-7-[2-[4-[[4-[(2,5-dioxo-1-pyrrolidinyl)oxy]-4-oxobutyl]methylamino]phenyl]diazenyl]-5-phenyl-
Database identifiers
- CAS
871240-94-7
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 13
- Heavy atoms
- 48
- Formal charge
- 1
- Complexity
- 1,100
Physicochemical properties
- solubility
- Easily soluble in DMSO, DMF, methanol, etc.
- Appearance
- Blue black solid
- ex/em
- 670 nm · 670 nm (absorbance peak)
- ε(extinction coefficient)
- 45500 L⋅mol−1⋅cm−1 · 45500 L⋅mol−1⋅cm−1
- InChIKey
- QGXKSFXRZRDECO-UHFFFAOYSA-N
- SMILES
- N(C1C=CC2N=C3C=CC(/N=N/C4C=CC(N(C)CCCC(=O)ON5C(CCC5=O)=O)=CC=4)=CC3=[N+](C3C=CC=CC=3)C=2C=1)(CC)CC
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Uses3-(Diethylamino)-7-[2-[4-[[4-[(2,5-dioxo-1-pyrrolidinyl)oxy]-4-oxobutyl]methylamino]phenyl]diazenyl]-5-phenylphenazinium is used in preparation of Peptide derivatives as imaging probes of Cathepsin catalytic activity.
Suppliers23 total
湖南韵邦生物科技股份有限公司0731-88532326 13319508186 · [email protected]
Changsha Morning Shine Co., Ltd.+86-13751227286 · [email protected]
陕西星贝爱科生物科技有限责任公司029-13572876172 13572876172 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
Aladdin Scientific[email protected]
上海瀚香生物科技有限公司177-54423994 17754423994 · [email protected]
长沙瀚辰生物科技有限公司18175992585 · [email protected]
Xian confluore Biological Technology Co., Ltd.+86-15680926068 · [email protected]
湖北省圣宝莱生物科技有限公司027-86-027-59105235 15527244834 · [email protected]
上海孚宇生物科技有限公司18672534757 · [email protected]
郑州汇聚化工有限公司0371-55900031 18137872243 · [email protected]
西安康福诺生物科技有限公司+86-156-80926068 +86-15680926068 · [email protected]
武汉市恒瑞信泰生物医药科技有限公司027-027-65522215 18163303831 · [email protected]
上海杰瑞兴生物医药科技有限公司17521512546 17721492509 · [email protected]
长沙福臻生物科技有限公司15111215862 18229892877 · [email protected]
四川铂友生物科技有限公司（原四川佰朋）028-65791793 18140026355 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
上海研纷生化科技有限公司17721070236 · [email protected]
苏州诺维康生物科技有限公司0512-67298826 18362736473 · [email protected]
北京欧凯纳斯生化科技有限公司01062651721 18610486005 · [email protected]
陕西新研博美生物科技有限公司13892832556 · [email protected]
上海安能健生物医药科技有限公司021-68781987 13818305065 · [email protected]
新维创生物科技（重庆）有限公司023-68264128 17725097785 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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